data_2rlz_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 2rlz _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 65' ' ' ALA . 19.9 m -145.34 174.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.271 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.17 119.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -142.52 142.01 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.79 160.27 29.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.29 179.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -123.18 159.29 28.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.71 146.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.47 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 10' ' ' LEU . 8.1 ttt85 -151.25 -4.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 9' ' ' ARG . 10.7 mp -40.98 166.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.618 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.87 163.56 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -147.83 134.55 19.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.44 43.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -86.54 122.95 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' LEU . 75.9 mt-30 -51.82 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.98 -13.33 33.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.23 -49.76 3.06 Favored Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.006 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.0 Cg_exo -56.46 -44.03 49.83 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.413 2.075 . . . . 0.0 112.012 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.9 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.67 81.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.09 -29.37 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -51.79 -46.59 64.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 42.5 t -75.25 -33.4 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.92 -49.48 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.669 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.81 -38.55 85.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -74.61 -23.08 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -49.79 -27.11 4.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.152 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -93.49 19.2 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -94.89 -162.28 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.7 m -171.13 -2.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.002 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 15.3 p -95.43 -115.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 31' ' ' SER . 17.7 m-20 -160.85 135.66 7.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.142 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 58.5 t -106.02 137.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -145.78 121.65 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.7 118.06 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.646 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -119.37 125.48 49.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.7 142.17 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 40' ' ' LYS . 3.9 m-20 51.97 38.73 24.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.25 -12.29 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 38' ' ' ASP . 55.2 mttm -81.37 156.18 25.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.821 0.344 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -148.3 145.84 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.682 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' ASN . 12.5 m -116.3 159.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' VAL . 17.2 m-20 -36.53 -45.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.342 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 165.53 -102.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 34.0 pttt -104.29 12.71 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.7 m -53.89 138.0 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.5 -54.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.2 mtm -65.21 -21.04 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.46 90.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.84 -53.82 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.344 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.4 -21.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.54 -48.0 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -86.29 -150.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 161.25 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.84 -172.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -149.51 177.11 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.553 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.521 ' N ' ' OG ' ' A' ' 56' ' ' SER . 5.5 m -72.73 127.05 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.24 -23.3 36.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 56' ' ' SER . 49.3 p -55.74 174.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -146.76 166.73 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.22 141.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.63 100.74 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.65 120.8 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.778 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.74 126.43 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.24 118.13 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.485 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.32 111.55 21.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.374 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.52 -162.81 30.48 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 70' ' ' GLU . 19.9 tt0 -95.67 -47.88 6.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.574 ' C ' ' H ' ' A' ' 71' ' ' GLN . 2.5 m-20 -63.7 4.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.384 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.5 pp20? -59.27 0.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.574 ' H ' ' C ' ' A' ' 69' ' ' ASP . 7.1 tt0 -54.67 -54.64 39.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.751 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -51.64 -25.74 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.47 -54.84 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.68 -35.61 26.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.309 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.79 -66.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.07 -62.37 1.58 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.19 -35.5 26.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.31 47.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.654 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.27 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -72.48 -54.04 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.641 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.16 -14.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.52 -0.12 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 42.55 38.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.06 143.82 25.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.533 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' ALA . 19.8 m -145.28 174.5 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.299 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.15 119.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -142.47 142.01 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.52 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.82 160.17 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.23 179.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -123.08 159.26 28.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.64 146.14 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' B' ' 10' ' ' LEU . 8.0 ttt85 -151.22 -4.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' B' ' 9' ' ' ARG . 10.7 mp -40.73 166.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.9 163.59 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -147.8 134.59 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.34 43.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 15' ' ' GLN . 0.2 OUTLIER -86.57 122.94 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 110.587 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LEU . 75.8 mt-30 -51.81 -168.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.01 -13.41 33.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -76.24 -49.8 3.04 Favored Pre-proline 0 CA--C 1.531 0.24 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.964 -179.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.4 Cg_exo -56.48 -44.03 49.77 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.445 2.097 . . . . 0.0 111.989 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.93 69.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.06 -29.39 55.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.79 -46.6 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 42.5 t -75.26 -33.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.999 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.96 -49.51 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.83 -38.49 85.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -74.57 -23.18 58.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 0.0 110.392 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -49.72 -27.26 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -93.39 19.08 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -94.83 -162.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.7 m -171.13 -2.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.025 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' B' ' 32' ' ' ASP . 14.7 p -95.43 -115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' SER . 17.8 m-20 -160.82 135.7 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 59.1 t -105.99 137.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 110.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.76 121.64 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.59 118.06 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.38 125.57 49.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.74 142.24 21.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' B' ' 40' ' ' LYS . 3.9 m-20 51.89 38.8 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.14 -12.28 1.22 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' B' ' 38' ' ' ASP . 55.3 mttm -81.39 156.14 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -148.22 145.91 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' B' ' 43' ' ' ASN . 12.2 m -116.38 159.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' B' ' 42' ' ' VAL . 17.1 m-20 -36.68 -45.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.179 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 165.6 -102.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 34.2 pttt -104.24 12.68 33.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 75.8 m -53.81 137.99 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.42 -54.47 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 27.3 mtm -65.15 -21.14 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.13 -47.53 90.63 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.79 -53.84 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.463 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.41 -21.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.55 -47.88 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.588 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.19 -150.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.498 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.63 161.25 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.81 -172.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 57' ' ' THR . 1.0 OUTLIER -149.56 177.14 10.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.511 ' N ' ' OG ' ' B' ' 56' ' ' SER . 5.4 m -72.62 127.08 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.1 -23.3 36.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 56' ' ' SER . 50.6 p -55.63 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.631 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.88 166.59 26.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.14 141.35 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.338 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.65 100.68 12.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.62 120.85 32.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.77 126.34 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.118 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.17 118.22 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.471 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.32 111.47 21.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.698 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.49 -162.77 30.45 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.263 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 70' ' ' GLU . 20.0 tt0 -95.67 -47.86 6.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.573 ' C ' ' H ' ' B' ' 71' ' ' GLN . 2.5 m-20 -63.87 4.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -59.35 0.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.542 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' B' ' 69' ' ' ASP . 7.1 tt0 -54.77 -54.57 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.73 -25.73 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.44 -54.88 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.963 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.62 -35.72 26.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.908 0.385 . . . . 0.0 111.255 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.83 -66.22 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.08 -62.46 1.56 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.16 -35.49 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.729 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.3 47.9 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.21 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.677 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.59 -54.0 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.25 -14.67 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.57 -0.05 41.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' O ' ' B' ' 67' ' ' GLY . 41.0 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.586 ' N ' ' OE2' ' B' ' 70' ' ' GLU . 9.5 t -148.48 129.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.43 143.66 31.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.667 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -142.39 142.45 32.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.557 ' NZ ' ' OG1' ' B' ' 62' ' ' THR . 13.2 ttmm -66.39 162.44 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.326 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 2.7 m -147.46 179.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.701 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -125.37 140.62 52.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.45 134.22 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.656 ' NH2' ' NE2' ' B' ' 82' ' ' GLN . 15.6 ttp180 -145.24 8.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.08 -178.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.37 168.01 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -150.4 158.82 44.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.498 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.94 158.3 19.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.524 ' CD1' ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.53 141.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -67.87 -162.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -41.67 11.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.2 mtt-85 -56.04 -49.45 93.01 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.907 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.7 Cg_exo -55.99 -38.03 95.29 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.379 2.053 . . . . 0.0 111.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.01 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.13 -33.78 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.99 -28.87 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.59 -41.6 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 27' ' ' ASN . 54.7 t -74.22 -34.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -52.41 -49.02 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.9 -36.89 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -18.72 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 23' ' ' VAL . 56.3 t30 -53.07 -21.92 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' PHE . 87.5 mtt180 -96.14 16.05 19.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.804 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD2' ' N ' ' A' ' 30' ' ' THR . 29.0 p90 -34.06 -63.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.129 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 1.8 m 41.73 17.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.234 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 29' ' ' PHE . 87.7 p -152.29 -7.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 76.07 114.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 23.3 t -112.73 128.65 69.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.33 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.3 m-85 -133.49 121.79 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.727 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.21 117.89 30.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.129 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.59 149.41 34.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.887 0.375 . . . . 0.0 110.76 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 67.3 tttt -164.21 101.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 8.6 t0 75.61 35.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.86 -21.5 7.72 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.12 143.07 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.34 167.6 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ASN . 2.0 m -103.73 175.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.427 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.582 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 54.1 t-20 -40.49 -65.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 158.98 -23.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.522 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.33 63.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.79 143.29 48.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.451 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.75 -57.22 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.72 -24.51 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.89 88.83 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.01 -36.51 72.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mmt -54.01 -45.3 71.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.647 ' HG ' ' N ' ' A' ' 53' ' ' LEU . 27.0 p -62.78 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' HG ' ' A' ' 52' ' ' SER . 3.1 tt -91.56 107.92 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.48 148.32 24.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.464 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.18 -163.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 59' ' ' THR . 2.8 m -154.14 175.88 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.28 134.72 52.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.36 -8.82 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 56' ' ' SER . 77.0 p -75.85 172.66 12.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -142.81 158.78 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 4.8 p -141.63 122.9 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.537 ' OG1' ' NZ ' ' B' ' 5' ' ' LYS . 60.7 m -76.27 104.6 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.24 142.77 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.75 116.66 46.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -145.86 114.94 7.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.082 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -126.84 119.26 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.523 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 159.37 -156.07 27.18 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -101.62 -51.94 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.9 m-20 -73.02 3.34 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' B' ' 2' ' ' VAL . 15.1 pt-20 -60.04 1.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.401 . . . . 0.0 110.362 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 69' ' ' ASP . 19.5 tt0 -50.68 -48.66 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.479 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -51.64 -25.78 7.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.52 -36.11 26.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.306 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.94 -66.16 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.05 -63.16 1.4 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.0 -34.71 22.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.67 76.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.492 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.61 -31.66 53.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.89 -46.65 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.32 -25.84 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.671 ' NE2' ' NH2' ' B' ' 9' ' ' ARG . 16.3 mm100 -95.72 25.29 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 59.83 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.91 144.89 47.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.591 ' N ' ' O ' ' A' ' 67' ' ' GLY . 41.1 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.583 ' N ' ' OE2' ' A' ' 70' ' ' GLU . 9.4 t -148.51 129.61 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.37 143.63 31.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -142.29 142.4 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.635 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.537 ' NZ ' ' OG1' ' A' ' 62' ' ' THR . 13.3 ttmm -66.29 162.51 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.52 ' N ' ' CG ' ' B' ' 5' ' ' LYS . 2.7 m -147.48 179.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -125.33 140.64 52.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.44 134.26 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.671 ' NH2' ' NE2' ' A' ' 82' ' ' GLN . 15.8 ttp180 -145.33 8.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.09 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -93.28 168.19 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.588 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.1 p -150.62 158.63 44.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.04 158.4 20.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.523 ' H ' ' CD1' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -40.6 141.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.04 -162.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 -41.69 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.2 mtt-85 -55.97 -49.52 92.54 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.942 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_exo -55.9 -37.97 95.2 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.39 2.06 . . . . 0.0 112.013 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.2 -35.93 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.14 -33.79 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.07 -29.02 57.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.466 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.4 -41.65 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' B' ' 27' ' ' ASN . 54.2 t -74.22 -34.78 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.48 -49.13 65.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -71.69 -36.9 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.65 58.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' B' ' 23' ' ' VAL . 56.3 t30 -53.13 -21.97 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 29' ' ' PHE . 87.5 mtt180 -96.04 15.96 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.84 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' B' ' 30' ' ' THR . 29.1 p90 -33.92 -63.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.653 ' N ' ' CD2' ' B' ' 29' ' ' PHE . 1.7 m 41.83 17.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.231 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.588 ' N ' ' O ' ' B' ' 29' ' ' PHE . 87.9 p -152.29 -7.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.035 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.3 OUTLIER 75.99 114.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.671 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 23.3 t -112.79 128.69 69.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.293 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.6 m-85 -133.5 121.82 22.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.19 117.81 30.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.58 149.38 34.58 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.907 0.384 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 67.1 tttt -164.18 101.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' B' ' 37' ' ' LYS . 8.7 t0 75.72 35.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.98 -21.53 7.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -92.07 143.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.4 167.54 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.76 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.575 ' O ' ' CE2' ' B' ' 34' ' ' PHE . 54.2 t-20 -40.41 -65.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 158.8 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.31 63.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 143.26 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.445 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -59.71 -57.18 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.58 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.96 88.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.98 -36.53 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -54.01 -45.2 71.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.65 ' HG ' ' N ' ' B' ' 53' ' ' LEU . 27.5 p -62.96 -39.92 96.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.65 ' N ' ' HG ' ' B' ' 52' ' ' SER . 3.1 tt -91.52 107.93 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.42 148.29 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.21 -163.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' B' ' 59' ' ' THR . 2.8 m -154.1 175.84 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.19 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.15 -8.8 72.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 56' ' ' SER . 76.7 p -76.01 172.65 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -142.74 158.85 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 4.7 p -141.67 122.88 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' THR . . . . . 0.557 ' OG1' ' NZ ' ' A' ' 5' ' ' LYS . 61.0 m -76.29 104.67 6.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.22 142.73 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.66 116.65 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.348 . . . . 0.0 110.61 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -145.89 114.86 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -126.81 119.29 26.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 159.47 -156.15 27.28 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -101.67 -51.82 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.9 m-20 -73.07 3.44 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 2' ' ' VAL . 15.1 pt-20 -60.3 1.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.589 ' H ' ' C ' ' B' ' 69' ' ' ASP . 19.5 tt0 -50.85 -48.58 59.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -51.75 -25.68 8.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.54 -54.62 21.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -82.47 -36.02 26.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.824 0.345 . . . . 0.0 111.248 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -70.03 -66.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -49.94 -34.69 21.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.83 76.48 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.477 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.49 -31.52 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.1 -46.44 61.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.47 -25.84 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.656 ' NE2' ' NH2' ' A' ' 9' ' ' ARG . 16.4 mm100 -95.68 25.36 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.619 ' H2 ' ' N ' ' B' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' A' ' 3' ' ' GLN . 42.9 t -148.71 172.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.518 ' H ' ' CG1' ' A' ' 2' ' ' VAL . 9.6 pt20 179.69 132.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.27 127.11 18.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.06 150.99 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.03 166.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -96.67 150.79 20.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -80.98 145.5 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' LEU . 31.7 ttm180 -151.69 -79.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ARG . 21.4 mt 36.2 -133.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -136.8 146.03 45.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 p -123.74 165.25 17.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.27 165.8 21.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 mt -42.31 153.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.8 -164.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.94 -21.03 21.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.05 -49.46 3.29 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.963 -179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.4 Cg_exo -56.23 -51.03 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.433 2.089 . . . . 0.0 111.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 -47.7 65.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.01 -26.87 62.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -56.17 -45.93 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . 42.7 t -75.22 -31.93 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -51.81 -46.12 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.958 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.67 -37.1 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.963 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -78.38 -19.94 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' VAL . 3.1 t30 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.0 19.87 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.675 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ALA . 38.9 p90 -39.75 134.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 t -148.77 8.44 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 66' ' ' GLN . 3.3 t -156.72 8.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.54 121.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 14.0 t -111.51 128.88 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.22 122.67 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.93 131.45 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -137.05 136.36 38.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -171.22 134.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 52.97 30.45 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.87 -12.74 34.31 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -71.31 148.12 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 43.3 tttp -145.66 163.15 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 4.4 m -145.2 175.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 14.2 t-20 -45.6 -65.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 161.29 -21.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.93 61.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -126.0 140.11 52.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.72 -41.16 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.31 -25.98 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.63 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.72 -53.31 28.38 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.95 -43.63 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.624 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.34 -49.65 76.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.3 m -49.81 -30.24 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.95 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.08 135.93 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.6 172.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.452 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 59' ' ' THR . 7.5 t -151.16 156.74 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 p -47.13 121.61 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.99 2.82 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 56' ' ' SER . 13.6 p -54.99 175.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.325 . . . . 0.0 110.533 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -139.1 163.09 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 11.8 p -137.27 113.06 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -97.06 99.7 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.59 132.64 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -117.15 116.99 53.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -124.25 117.86 25.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.648 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.8 pt20 -117.01 117.53 29.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.626 ' N ' ' H2 ' ' B' ' 1' ' ' MET . . . 174.34 -152.98 15.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 70' ' ' GLU . 5.0 mp0 -109.23 -32.71 7.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 71' ' ' GLN . 14.1 m-20 -90.66 -57.19 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.934 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 7.0 pm0 25.59 35.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.948 0.78 . . . . 0.0 111.283 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.72 5.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.236 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.28 -25.9 6.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.51 20.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.47 -41.53 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.0 111.068 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.17 -52.2 30.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.01 0.5 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 mp -50.5 -53.49 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.41 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.729 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.22 -34.88 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -76.99 -36.37 56.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -77.81 -12.5 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 4.8 tt0 -116.46 36.03 4.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 38.4 mt-10 37.53 82.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 40.21 -148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.0 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.626 ' H2 ' ' N ' ' A' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' B' ' 3' ' ' GLN . 43.3 t -148.84 172.44 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.317 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.516 ' H ' ' CG1' ' B' ' 2' ' ' VAL . 9.6 pt20 179.49 132.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.745 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.3 127.05 18.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.02 150.87 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -150.01 166.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -96.61 150.95 20.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 50.7 t -81.12 145.52 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 10' ' ' LEU . 31.8 ttm180 -151.72 -80.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 9' ' ' ARG . 21.4 mt 36.33 -133.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -136.9 145.9 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.1 p -123.7 165.25 17.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.38 165.83 21.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.37 152.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -87.68 -164.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.17 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -75.89 -49.48 3.42 Favored Pre-proline 0 CA--C 1.533 0.295 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.969 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.9 Cg_exo -56.1 -51.09 10.26 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.364 2.042 . . . . 0.0 112.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.17 89.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.11 -26.78 62.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.24 -45.97 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . 42.9 t -75.15 -31.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.772 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -51.8 -45.99 64.08 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.022 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.71 -37.17 86.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.007 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.41 -19.75 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' VAL . 3.1 t30 -49.82 -22.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.128 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.25 20.01 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.634 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 26' ' ' ALA . 38.9 p90 -39.88 134.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.949 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -148.71 8.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.925 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 66' ' ' GLN . 3.3 t -156.79 8.47 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.372 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.39 121.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 13.7 t -111.48 128.8 67.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.14 122.61 38.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.88 131.48 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.397 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -137.09 136.28 38.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.542 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -171.13 134.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 52.96 30.55 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 -12.71 34.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -71.44 148.13 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 43.6 tttp -145.59 163.18 35.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 4.4 m -145.3 175.5 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.626 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 14.0 t-20 -45.5 -65.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 161.35 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.88 61.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.501 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -125.94 140.05 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.549 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.69 -40.99 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.53 -25.92 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.49 27.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.85 -43.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' B' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -49.6 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -49.87 -30.23 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.88 2.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.93 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.53 172.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.5 t -151.14 156.88 41.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.3 p -47.27 121.52 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.93 2.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 56' ' ' SER . 13.9 p -54.96 175.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -139.0 163.26 32.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 11.9 p -137.31 113.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.255 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -97.15 99.74 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.58 132.57 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.113 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mt -117.16 116.99 53.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -124.33 117.85 25.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.613 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.476 ' O ' ' OG ' ' B' ' 31' ' ' SER . 3.8 pt20 -116.96 117.64 30.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.674 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.619 ' N ' ' H2 ' ' A' ' 1' ' ' MET . . . 174.19 -152.98 15.61 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' C ' ' OE2' ' B' ' 70' ' ' GLU . 5.0 mp0 -109.29 -32.85 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.499 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' B' ' 71' ' ' GLN . 14.2 m-20 -90.51 -57.21 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.955 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' B' ' 70' ' ' GLU . 7.2 pm0 25.61 35.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.921 0.763 . . . . 0.0 111.317 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.78 5.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.254 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.3 -25.95 6.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.55 20.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.679 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.46 -41.46 19.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.024 0.44 . . . . 0.0 111.064 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.21 -52.19 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 mp -50.47 -53.37 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.784 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.78 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -77.06 -36.41 55.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.8 -12.42 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' B' ' 83' ' ' GLU . 4.8 tt0 -116.58 36.09 4.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 82' ' ' GLN . 38.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 53.6 t -151.59 164.15 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.438 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.522 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 10.3 pt20 -179.86 119.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.43 128.36 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.54 155.5 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.13 176.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.639 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.32 137.82 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.464 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.69 132.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' LEU . 88.4 mtt180 -145.56 6.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ARG . 12.2 mt -50.13 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -78.28 179.55 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -146.56 169.48 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.63 176.22 38.72 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' H ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.19 130.43 35.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.485 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-30 -53.87 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.04 -19.91 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.7 mtp180 -76.12 -43.21 3.59 Favored Pre-proline 0 N--CA 1.466 0.366 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.879 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -57.14 -46.57 27.71 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.474 2.116 . . . . 0.0 112.198 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.688 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.37 72.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.66 -26.92 68.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.99 -60.17 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.222 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' ASN . 39.8 t -65.34 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.28 -43.79 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.732 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.43 -38.72 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -80.33 -17.78 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.1 t30 -53.6 -27.68 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.307 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 95.1 mtt180 -91.14 13.86 15.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.511 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -87.91 -161.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.565 ' HG1' ' CG ' ' A' ' 69' ' ' ASP . 2.0 m -167.39 -3.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.194 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -93.42 -126.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.69 139.78 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.171 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 62.2 t -109.57 139.17 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.894 0.378 . . . . 0.0 110.375 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -145.95 121.76 10.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.21 118.03 32.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.46 141.58 50.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.59 130.84 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 40' ' ' LYS . 5.7 m-20 49.43 40.35 18.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 -23.58 1.51 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 38' ' ' ASP . 38.0 mttm -73.82 125.75 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HZ3' ' CB ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -132.81 136.59 46.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.452 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.5 m -100.22 169.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.494 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -41.53 -48.84 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 169.56 -78.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 40.4 pttt -126.98 10.92 7.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -53.79 118.76 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 48' ' ' MET . 3.0 tt -53.73 -40.79 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.586 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 4.4 ptt? -72.35 -27.61 62.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.92 -39.93 49.22 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 7.2 mp -77.16 -36.57 55.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 ttt -56.15 -17.65 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.567 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.61 -55.01 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.45 133.7 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -157.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.674 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.06 -161.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.484 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 p -146.94 155.98 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.51 127.82 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.3 -23.71 31.03 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 m -64.78 149.87 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.308 . . . . 0.0 110.418 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.08 164.35 21.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.83 143.82 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.347 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -98.85 100.11 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.088 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.79 125.91 35.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.91 133.05 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 111.35 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -136.1 114.5 11.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.596 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -110.08 103.72 12.49 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.656 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.55 -160.19 32.49 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.96 -36.43 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.7 m-20 -73.9 2.17 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 2.6 pp20? -58.44 -0.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.2 tt0 -50.88 -52.55 40.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' A' ' 28' ' ' ARG . 63.0 mt-10 -54.92 -25.87 32.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.969 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.21 -55.27 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 110.954 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 10.4 mp -82.84 -33.55 27.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.961 0.41 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.42 -66.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.58 -63.51 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.17 -34.48 22.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.86 79.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.33 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.99 -27.92 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.8 mt-30 -98.26 21.5 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 82' ' ' GLN . 8.4 mt-10 57.66 145.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -148.38 89.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.517 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 53.6 t -151.67 164.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.528 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 10.3 pt20 -179.85 119.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -142.37 128.43 19.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.69 155.52 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.13 177.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -123.38 137.89 54.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.63 132.95 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 10' ' ' LEU . 87.6 mtt180 -145.75 6.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ARG . 12.2 mt -50.17 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.63 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -78.27 179.51 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -146.6 169.42 19.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.68 176.35 38.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.499 ' H ' ' CD2' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -80.29 130.49 35.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 14' ' ' LEU . 31.6 mt-30 -53.82 -165.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.15 -19.87 21.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.7 mtp180 -76.15 -43.09 3.54 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.0 Cg_exo -57.19 -46.6 27.38 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.482 2.121 . . . . 0.0 112.153 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.55 77.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.36 72.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.8 -26.79 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -53.03 -60.07 3.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 27' ' ' ASN . 39.8 t -65.51 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.178 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.43 -43.72 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.704 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -71.48 -38.71 71.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.593 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -80.22 -17.88 51.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 23' ' ' VAL . 32.2 t30 -53.56 -27.72 27.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.447 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 95.3 mtt180 -91.08 13.87 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.536 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -87.82 -161.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.575 ' HG1' ' CG ' ' B' ' 69' ' ' ASP . 2.0 m -167.5 -3.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.216 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.4 p -93.4 -126.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.82 139.84 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 63.7 t -109.56 139.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.398 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -146.08 121.85 10.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.237 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.26 118.07 32.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.52 141.83 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.527 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.78 130.87 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 40' ' ' LYS . 5.7 m-20 49.36 40.42 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 -23.39 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' B' ' 38' ' ' ASP . 38.1 mttm -74.01 125.77 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.548 ' CB ' ' HZ3' ' B' ' 41' ' ' LYS . 0.5 OUTLIER -132.74 136.47 46.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 m -100.18 169.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -41.55 -48.76 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 169.49 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.542 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 40.2 pttt -127.0 10.86 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -53.67 118.85 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 48' ' ' MET . 3.0 tt -53.92 -40.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.456 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 4.4 ptt? -72.49 -27.58 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.05 -39.66 49.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 7.2 mp -77.35 -36.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.68 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.6 ttt -56.28 -17.77 8.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -55.03 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.48 133.82 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.41 -157.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 m -138.13 -161.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 4.1 p -146.78 156.04 42.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.51 127.92 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.26 -23.68 31.2 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 44.6 m -64.88 149.79 48.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.0 164.26 21.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.79 143.88 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 13.4 m -98.94 100.22 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.92 125.95 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.9 132.95 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.048 0.451 . . . . 0.0 111.3 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -136.0 114.49 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.558 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -110.1 103.77 12.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.44 -160.26 32.5 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.297 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.92 -36.39 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.521 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.575 ' CG ' ' HG1' ' B' ' 30' ' ' THR . 7.7 m-20 -73.93 2.16 9.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' B' ' 70' ' ' GLU . 2.7 pp20? -58.41 -0.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' B' ' 69' ' ' ASP . 39.1 tt0 -50.93 -52.64 40.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 28' ' ' ARG . 62.6 mt-10 -54.77 -25.79 30.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 10.4 mp -82.82 -33.56 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.994 0.426 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -70.31 -66.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.54 -63.54 1.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.13 -34.64 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.41 81.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.18 -46.21 91.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.06 -27.95 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.467 ' O ' ' O ' ' B' ' 83' ' ' GLU . 18.8 mt-30 -98.09 21.31 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' B' ' 82' ' ' GLN . 8.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.452 ' H3 ' ' N ' ' B' ' 67' ' ' GLY . 26.2 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 60.1 t -147.36 171.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.507 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 12.0 pt20 -178.35 119.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 110.691 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -142.38 147.45 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -92.69 154.15 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.08 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -103.34 155.14 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -93.76 140.48 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -148.59 -8.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -43.49 151.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.45 128.29 35.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.25 129.53 55.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.64 -178.7 22.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 15' ' ' GLN . 6.9 mt -53.98 115.4 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' LEU . 1.8 mm100 -49.91 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' H ' HE21 ' A' ' 15' ' ' GLN . . . -83.94 -34.04 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 12.7 mtp180 -61.91 -54.47 50.46 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 37.5 Cg_endo -69.63 -30.48 22.83 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 121.958 1.772 . . . . 0.0 111.982 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.91 -33.14 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -50.65 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.61 -26.67 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.19 -46.55 72.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 27' ' ' ASN . 41.1 t -75.21 -32.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.8 -48.91 63.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.44 -36.79 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.132 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -74.39 -19.41 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.9 t30 -50.86 -23.12 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.437 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -96.13 19.93 10.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.654 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' N ' ' A' ' 30' ' ' THR . 23.7 p90 -38.67 -62.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.299 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.643 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m 44.56 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.075 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 29' ' ' PHE . 43.6 p -147.25 -12.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.186 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.5 OUTLIER 74.01 127.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.663 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 40.5 t -111.3 154.34 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.166 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 64.1 m-85 -149.62 121.87 8.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.617 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.92 143.26 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.88 140.08 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.601 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -167.9 148.26 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER 45.38 36.09 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.92 -23.2 0.7 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 38' ' ' ASP . 17.2 mttt -72.48 159.05 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.496 ' CG ' ' H ' ' A' ' 42' ' ' VAL . 41.9 tttm -137.56 170.87 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.496 ' H ' ' CG ' ' A' ' 41' ' ' LYS . 26.9 m -138.02 176.38 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 4.7 t-20 -52.15 -55.58 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 162.83 -48.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.438 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 25.1 pttt -153.33 -18.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t -53.84 146.58 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.8 mt -66.28 -44.35 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -49.0 -22.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.01 -47.95 12.38 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.19 -44.59 79.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.592 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.64 -34.23 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -58.7 -57.12 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.34 -153.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.76 -174.4 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 56' ' ' SER . 3.6 p -175.61 159.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -154.22 161.61 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -48.27 148.12 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.81 1.57 89.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 54.5 m -90.87 162.8 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 14.9 pt-20 -134.1 163.5 29.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.1 p -140.33 123.03 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -80.61 99.94 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.752 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tt -87.35 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.041 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.41 127.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -131.92 114.97 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.873 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -107.54 102.56 11.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.313 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' H3 ' ' B' ' 1' ' ' MET . . . 159.96 -171.45 36.28 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.03 -33.52 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 71' ' ' GLN . 26.7 m-20 -73.33 -3.87 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.49 -5.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 69' ' ' ASP . 18.4 tt0 -50.75 -47.04 59.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.426 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' OE1' ' O ' ' A' ' 69' ' ' ASP . 9.5 mp0 -59.86 -26.57 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.6 -54.25 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.776 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 4.4 mm? -81.74 -38.18 26.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.97 -66.34 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.71 -64.68 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -50.12 -46.2 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.61 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.51 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.36 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.15 -40.8 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.7 t -67.97 -17.3 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -109.99 7.08 23.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 57.05 32.36 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.65 128.87 41.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.545 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.449 ' H3 ' ' N ' ' A' ' 67' ' ' GLY . 26.2 mmt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 60.4 t -147.48 170.69 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.51 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 11.9 pt20 -177.82 119.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.67 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -142.36 147.39 36.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -92.65 153.98 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -150.0 167.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.17 155.49 18.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.1 140.39 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -148.64 -8.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.62 151.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.46 128.35 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.35 129.51 55.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.472 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.57 -178.66 22.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 15' ' ' GLN . 6.9 mt -54.09 115.43 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' B' ' 14' ' ' LEU . 1.8 mm100 -49.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.457 ' H ' HE21 ' B' ' 15' ' ' GLN . . . -83.94 -34.12 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 12.6 mtp180 -61.82 -54.5 50.56 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 37.6 Cg_endo -69.67 -30.3 22.93 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.949 1.766 . . . . 0.0 112.049 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.1 65.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.6 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.59 -26.67 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.24 -46.71 72.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' B' ' 27' ' ' ASN . 40.8 t -75.15 -32.25 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.7 -49.01 63.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.916 0.389 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -72.36 -36.9 68.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.11 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -74.48 -19.28 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.485 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' B' ' 23' ' ' VAL . 7.0 t30 -50.87 -23.1 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.399 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -96.23 20.04 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.641 ' CG ' ' N ' ' B' ' 30' ' ' THR . 23.8 p90 -38.64 -62.49 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.241 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.641 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 1.7 m 44.45 14.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.054 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.572 ' N ' ' O ' ' B' ' 29' ' ' PHE . 45.3 p -147.3 -11.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.231 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.5 OUTLIER 73.84 127.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.756 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' B' ' 34' ' ' PHE . 40.6 t -111.12 154.39 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.192 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 33' ' ' VAL . 64.0 m-85 -149.76 121.92 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.877 0.37 . . . . 0.0 110.64 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.95 143.23 33.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.406 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -140.91 139.97 34.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -167.83 148.19 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.558 ' C ' ' H ' ' B' ' 40' ' ' LYS . 0.9 OUTLIER 45.5 36.07 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.89 -23.23 0.7 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' B' ' 38' ' ' ASP . 17.0 mttt -72.32 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 42.0 tttm -137.62 170.88 15.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 26.9 m -138.1 176.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 4.8 t-20 -52.17 -55.59 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 162.86 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 25.1 pttt -153.47 -18.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -53.78 146.67 13.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.36 -44.44 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -48.97 -22.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.06 -47.93 12.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.2 -44.58 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.7 -34.18 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -58.74 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.42 -153.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.73 -174.45 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' B' ' 56' ' ' SER . 3.6 p -175.66 159.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.484 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' B' ' 55' ' ' VAL . 1.1 m -154.08 161.59 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.648 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -48.14 147.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 1.53 89.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 54.7 m -90.84 162.88 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' B' ' 59' ' ' THR . 14.8 pt-20 -134.2 163.73 28.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 5.1 p -140.5 123.19 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -80.87 99.93 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.703 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tt -87.29 137.25 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.087 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.44 127.58 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -131.91 114.88 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.882 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -107.29 102.51 11.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.283 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' H3 ' ' A' ' 1' ' ' MET . . . 160.12 -171.59 36.43 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -92.8 -33.6 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.434 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 71' ' ' GLN . 26.7 m-20 -73.32 -3.73 28.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.56 -5.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.581 ' H ' ' C ' ' B' ' 69' ' ' ASP . 18.6 tt0 -50.81 -47.11 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' B' ' 69' ' ' ASP . 9.5 mp0 -59.74 -26.6 65.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.29 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.778 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 74' ' ' LEU . 4.4 mm? -81.84 -38.13 25.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.005 0.431 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.98 -66.35 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.63 -64.88 1.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -50.01 -46.1 52.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.92 -39.46 74.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.576 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.4 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -60.11 -40.77 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 64.2 t -67.95 -17.47 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -109.78 6.98 23.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.732 ' H3 ' ' H ' ' B' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' B' ' 65' ' ' ALA . 55.6 t -155.65 156.45 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.425 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 2.8 pt20 -173.52 126.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.706 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.17 141.08 32.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.583 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.484 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 40.3 tt0 -102.67 143.67 32.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.74 144.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -144.41 -4.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.87 159.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.477 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.46 164.39 18.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 p -141.01 165.38 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.1 -176.83 47.22 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.61 152.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 -163.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -29.31 17.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.29 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.7 mtm-85 -69.58 -49.17 22.58 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.977 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -56.12 -49.41 15.44 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.22 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.87 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.59 -26.88 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.95 -48.29 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' A' ' 27' ' ' ASN . 48.9 t -73.85 -32.81 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.63 -45.17 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.215 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.81 -36.85 70.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -86.38 1.6 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 23' ' ' VAL . 16.2 t-20 -71.74 -25.95 62.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -89.52 -7.35 55.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.868 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -49.91 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.22 -179.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.9 m -171.57 17.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.7 p -136.64 3.07 2.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.4 OUTLIER 70.64 127.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 94.4 t -111.55 128.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.675 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.63 121.58 38.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.67 121.37 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.21 138.62 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 23.4 tptp -152.96 109.67 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 9.7 t0 73.83 24.54 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.75 -18.48 52.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -95.06 150.26 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.67 165.77 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' ASN . 16.2 m -111.34 172.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' VAL . 17.8 t-20 -36.72 -54.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.442 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 168.69 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 19.1 pttt -140.94 11.01 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 p -59.22 140.36 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mt -67.05 -51.19 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mtt -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.45 -35.66 90.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.76 -34.15 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.598 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -70.98 -31.59 68.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.8 t -61.78 -63.36 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.03 63.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.79 161.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.47 -159.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.494 ' H ' ' HG1' ' A' ' 59' ' ' THR . 1.4 m -156.17 178.62 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 128.19 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.28 4.62 60.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.494 ' HG1' ' H ' ' A' ' 56' ' ' SER . 55.7 p -89.81 169.87 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.22 161.88 32.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.5 p -142.16 119.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.52 113.27 25.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -91.39 156.21 17.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.7 mt -143.79 121.41 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.005 0.431 . . . . 0.0 111.099 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.99 116.35 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.631 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.29 97.8 7.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.636 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.713 ' H ' ' H3 ' ' B' ' 1' ' ' MET . . . 165.53 -141.21 6.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 70' ' ' GLU . 49.4 tt0 -113.79 -41.43 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' OD2' ' OG1' ' A' ' 30' ' ' THR . 0.9 OUTLIER -63.66 -0.55 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 69' ' ' ASP . 16.2 tt0 -58.32 -47.54 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -62.29 -44.17 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.97 51.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.796 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 11.0 mp -81.87 -46.71 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 28.2 tt0 -68.83 -66.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -61.75 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -26.23 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.633 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.06 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.527 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.59 74.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.551 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -77.1 -44.69 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 54.8 t -72.34 -26.92 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.79 -14.3 34.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.83 97.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.24 159.88 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.562 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.713 ' H3 ' ' H ' ' A' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' ALA . 55.9 t -155.77 156.46 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.432 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 2.8 pt20 -173.5 126.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.696 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.23 141.09 32.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.559 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.44 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 39.9 tt0 -102.61 143.85 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 144.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -144.46 -5.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.75 159.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.49 164.44 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -141.03 165.42 27.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.08 -176.96 47.22 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.38 152.58 40.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 110.694 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.87 -163.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.27 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.487 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 7.7 mtm-85 -69.53 -49.17 22.89 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.023 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 37.7 Cg_exo -56.17 -49.39 15.45 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.383 2.055 . . . . 0.0 111.94 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.28 68.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.96 86.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.58 -26.93 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.83 -48.36 75.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.692 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' B' ' 27' ' ' ASN . 49.0 t -73.83 -32.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.66 -45.22 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.185 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.78 -36.84 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.025 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -86.3 1.57 50.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' B' ' 23' ' ' VAL . 16.2 t-20 -71.71 -26.03 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -89.38 -7.24 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.967 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -50.06 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.139 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.9 m -171.51 17.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.695 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 76.3 p -136.52 2.92 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.66 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.4 OUTLIER 70.8 127.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.402 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 95.3 t -111.5 128.53 67.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.873 0.368 . . . . 0.0 110.763 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.76 121.65 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.135 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.81 121.38 40.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -116.2 138.48 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.457 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -152.83 109.73 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 73.87 24.58 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.63 -18.38 52.91 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -95.12 150.17 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.57 165.77 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.761 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 43' ' ' ASN . 16.2 m -111.3 172.38 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' B' ' 42' ' ' VAL . 17.8 t-20 -36.65 -54.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 168.76 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' B' ' 29' ' ' PHE . 19.2 pttt -140.84 11.03 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.434 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -59.24 140.42 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -67.21 -51.11 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 14.9 mtt -61.53 -25.59 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.44 -35.55 90.27 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.79 -34.17 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -71.0 -31.61 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -61.75 -63.35 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.3 mt -98.03 63.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.88 161.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.625 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.37 -159.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.492 ' H ' ' HG1' ' B' ' 59' ' ' THR . 1.4 m -156.23 178.56 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.44 4.44 60.85 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' B' ' 56' ' ' SER . 56.7 p -89.66 169.93 10.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.28 161.92 32.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 5.5 p -142.23 119.06 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.47 113.22 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -91.22 156.24 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.194 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -143.9 121.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.012 0.434 . . . . 0.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.84 116.38 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.536 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.32 97.82 7.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.732 ' H ' ' H3 ' ' A' ' 1' ' ' MET . . . 165.55 -141.19 6.84 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.253 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' B' ' 70' ' ' GLU . 49.3 tt0 -113.67 -41.52 3.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.616 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.483 ' OD2' ' OG1' ' B' ' 30' ' ' THR . 0.9 OUTLIER -63.6 -0.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.188 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' B' ' 69' ' ' ASP . 16.7 tt0 -58.24 -47.57 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.682 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.24 -44.08 97.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.89 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 mp -81.9 -46.58 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.07 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 28.1 tt0 -68.92 -66.25 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.2 -61.67 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.31 -26.26 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.595 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.09 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.51 74.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -77.15 -44.74 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 54.9 t -72.33 -26.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.65 -14.47 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.724 ' H3 ' ' H ' ' B' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 61.7 t -158.76 161.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.042 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.489 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 10.6 pt20 -158.6 144.68 16.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.136 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.07 160.61 39.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -71.65 165.63 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.03 179.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.72 147.59 46.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -86.37 143.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 10' ' ' LEU . 50.4 ttt-85 -146.92 -15.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.5 mt -45.83 175.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.37 157.53 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.6 164.12 30.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.77 168.7 33.67 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -40.51 136.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.31 -170.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.69 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 6.9 mpt_? -73.13 -53.96 4.62 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 40.2 Cg_endo -69.66 -24.24 30.33 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.004 1.803 . . . . 0.0 112.063 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.96 68.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.635 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.74 -49.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.799 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 4.3 mm? -63.49 -35.08 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.89 -48.39 16.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ASN . 53.8 t -75.1 -34.08 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.168 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -51.99 -39.0 58.72 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.708 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' A' ' 76' ' ' LYS . 4.7 mm-40 -69.87 -45.12 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.57 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -18.32 56.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.007 0.432 . . . . 0.0 110.074 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' VAL . 27.0 t-20 -56.36 -26.37 52.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.106 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.37 5.15 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD2' ' CG2' ' A' ' 33' ' ' VAL . 3.1 t80 -81.6 156.86 24.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.56 ' N ' ' OD2' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -91.9 17.13 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.7 OUTLIER 68.24 134.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.553 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 54.5 t -124.9 128.7 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.165 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -145.3 121.75 11.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.35 154.71 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.134 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -148.43 152.62 37.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.729 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.9 ptmt -177.26 144.54 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 40' ' ' LYS . 44.0 t0 37.04 44.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.62 -22.41 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LYS . 46.5 mttp -68.93 149.38 48.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.5 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -146.38 143.89 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' ASN . 27.1 m -106.16 161.62 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 10.2 t-20 -38.07 -70.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.294 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 164.67 -27.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.434 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.74 49.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -127.97 145.92 50.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.64 -51.12 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.602 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.482 ' O ' ' OG ' ' A' ' 52' ' ' SER . 8.2 tpt -50.48 -29.5 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.3 -54.36 27.35 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.4 -33.52 75.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 48' ' ' MET . 20.2 m -73.15 -50.75 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.58 -166.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.9 -158.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -166.18 163.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.474 ' OG ' ' N ' ' A' ' 57' ' ' THR . 2.7 t -123.99 175.3 7.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 56' ' ' SER . 24.4 m -76.78 127.14 32.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.88 -7.46 81.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 54.7 m -63.86 164.85 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' N ' ' CG2' ' A' ' 59' ' ' THR . 12.4 pt-20 -127.56 158.76 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.5 p -137.64 117.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.62 148.34 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -128.71 144.8 51.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.406 HG22 HE22 ' B' ' 3' ' ' GLN . 75.8 mt -130.48 116.84 37.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 0.0 110.813 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -149.11 114.67 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.737 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.86 142.16 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.026 0.441 . . . . 0.0 110.697 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.727 ' N ' ' H3 ' ' B' ' 1' ' ' MET . . . 143.01 -104.75 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' A' ' 70' ' ' GLU . 92.6 mt-10 -144.14 -44.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -73.87 26.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -72.61 21.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.542 ' H ' ' C ' ' A' ' 69' ' ' ASP . 20.2 tt0 -75.15 -55.4 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -58.73 -31.41 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.33 -54.67 40.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 110.76 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 10.0 mp -82.68 -42.91 17.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.38 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -77.14 -65.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -176.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.12 -52.57 33.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.691 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.81 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.491 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.712 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.69 -52.63 35.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.7 -35.04 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' GLU . 38.4 tt0 -59.3 -16.54 22.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' GLN . 50.2 tp10 37.8 79.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.01 -175.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.596 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.727 ' H3 ' ' N ' ' A' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 63.2 t -158.8 161.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.996 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.494 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 10.6 pt20 -158.9 144.48 16.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.099 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -141.97 160.49 40.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.37 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -71.39 165.56 23.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.615 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -150.04 179.16 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.82 147.53 46.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -86.38 143.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' B' ' 10' ' ' LEU . 50.0 ttt-85 -146.79 -15.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' B' ' 9' ' ' ARG . 11.6 mt -45.67 175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.54 157.51 18.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.56 164.25 29.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.75 168.78 33.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -40.6 136.14 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.45 -170.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.73 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 6.9 mpt_? -72.99 -54.03 4.72 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 40.8 Cg_endo -69.61 -24.17 30.65 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.023 1.815 . . . . 0.0 112.14 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.98 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -48.98 27.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.733 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' B' ' 21' ' ' LEU . 4.3 mm? -63.58 -34.95 78.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.93 -48.42 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 27' ' ' ASN . 53.9 t -75.1 -34.2 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.206 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -51.85 -38.99 58.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.736 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 76' ' ' LYS . 4.8 mm-40 -69.83 -45.22 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.23 56.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' B' ' 23' ' ' VAL . 27.0 t-20 -56.33 -26.37 52.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.081 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.45 5.19 51.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.429 ' CD2' ' CG2' ' B' ' 33' ' ' VAL . 3.1 t80 -81.59 156.84 24.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' ' OD2' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -91.86 17.11 9.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.435 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.7 OUTLIER 68.27 134.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 55.9 t -125.06 128.7 73.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.128 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -145.2 121.75 11.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.2 154.83 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -148.46 152.67 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.578 ' O ' ' N ' ' B' ' 40' ' ' LYS . 1.9 ptmt -177.35 144.57 0.41 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 40' ' ' LYS . 44.2 t0 37.08 44.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.7 -22.33 0.71 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' B' ' 37' ' ' LYS . 46.5 mttp -68.92 149.55 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -146.45 143.96 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.725 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' B' ' 43' ' ' ASN . 26.7 m -106.35 161.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 10.2 t-20 -37.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.351 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 164.7 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.55 49.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.495 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -128.02 145.92 50.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.64 -51.07 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.487 ' O ' ' OG ' ' B' ' 52' ' ' SER . 8.1 tpt -50.54 -29.48 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.33 -54.32 27.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.43 -33.52 75.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 35.7 ttp -68.79 -20.84 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 48' ' ' MET . 20.1 m -73.17 -50.68 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.66 -166.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.92 -158.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' B' ' 56' ' ' SER . 13.6 p -166.13 163.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' B' ' 57' ' ' THR . 2.7 t -124.06 175.35 7.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' THR . . . . . 0.467 ' N ' ' OG ' ' B' ' 56' ' ' SER . 24.3 m -76.74 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.49 -7.11 82.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 52.6 m -64.03 164.89 9.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.51 ' N ' ' CG2' ' B' ' 59' ' ' THR . 12.5 pt-20 -127.53 158.7 36.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 7.2 p -137.61 117.46 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.57 148.33 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -128.74 144.75 51.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.064 0.459 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -149.19 114.61 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.787 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.71 142.08 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.79 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.724 ' H ' ' H3 ' ' A' ' 1' ' ' MET . . . 143.09 -104.8 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' B' ' 70' ' ' GLU . 92.8 mt-10 -144.13 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.441 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' B' ' 31' ' ' SER . 0.6 OUTLIER -73.86 26.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' B' ' 68' ' ' GLU . 0.2 OUTLIER -72.8 22.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' B' ' 69' ' ' ASP . 20.5 tt0 -75.21 -55.35 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.78 -31.41 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.62 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 9.9 mp -82.76 -42.96 17.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.192 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -77.31 -65.26 0.98 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -176.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.03 -52.6 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.645 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.68 81.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.521 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.36 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -67.48 -52.63 36.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.661 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.76 -34.98 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' B' ' 83' ' ' GLU . 38.3 tt0 -59.33 -16.42 22.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' B' ' 82' ' ' GLN . 50.3 tp10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 68.9 t -150.18 164.58 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.531 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 12.8 pt20 -170.8 119.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 63' ' ' LEU . 52.9 mt-30 -142.27 139.03 31.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -84.62 154.15 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.9 m -150.2 177.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -116.24 147.55 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.37 131.48 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -140.02 -87.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt 43.16 -116.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.8 163.24 34.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.16 167.54 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 140.2 145.56 4.68 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -35.0 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.909 0.385 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.56 -165.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . -83.8 -25.86 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 mtt-85 -65.96 -54.96 24.22 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 38.1 Cg_endo -69.53 -41.98 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.072 1.848 . . . . 0.0 112.08 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.25 75.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.803 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.44 -34.51 78.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.62 -45.18 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 54.2 t -70.1 -31.8 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -69.18 -45.64 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.679 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 29' ' ' PHE . . . -73.63 -26.13 60.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -54.85 -23.96 20.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 56.2 mtt180 -94.81 -0.55 54.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.881 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 26' ' ' ALA . 62.2 m-85 -149.39 132.96 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.37 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.4 t -69.19 -33.79 73.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.72 87.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' THR . 22.2 m-20 -45.65 132.01 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' ALA . 2.9 t -106.02 128.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.12 150.24 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.514 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -139.95 130.09 25.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.209 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -129.41 144.33 51.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.502 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.17 120.51 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' ASP . 11.4 t0 66.96 20.49 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.62 -22.4 21.12 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -75.15 103.59 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -95.48 143.29 26.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.12 -179.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.447 ' C ' HD21 ' A' ' 43' ' ' ASN . 0.2 OUTLIER -47.84 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 167.4 -20.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 10.2 pttp -177.96 -8.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -55.5 127.05 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -54.68 -35.18 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 mtt -56.0 -42.85 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.74 61.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.39 -49.62 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -48.93 -28.73 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 m -75.66 -52.58 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.528 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -91.43 -163.28 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.01 178.65 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.62 179.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.72 151.15 30.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -50.91 125.39 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.44 -6.74 53.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 29.5 m -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 59' ' ' THR . 32.4 mt-10 -131.72 175.13 9.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.94 139.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -83.98 99.77 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 5.0 tt -88.54 117.43 27.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.44 116.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.888 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -120.41 116.48 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -107.33 104.31 13.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.7 171.05 39.24 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.223 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -80.74 -44.56 18.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.397 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.586 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.6 m-20 -92.62 29.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.318 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.89 8.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.508 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 69' ' ' ASP . 25.4 tt0 -50.65 -33.14 21.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 2.3 pp20? -51.32 -38.53 53.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.021 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -64.85 -46.22 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.59 -44.07 17.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.964 0.411 . . . . 0.0 111.398 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.32 -66.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.56 -68.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.1 mp -50.21 -51.65 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.58 -30.69 63.47 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.33 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.56 32.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.346 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.3 -44.3 88.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.244 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.34 -19.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -66.55 -4.24 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' VAL . 69.8 tt0 54.08 102.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -45.88 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLU . 88.9 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.53 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 68.7 t -150.19 164.53 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.53 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 12.7 pt20 -170.8 119.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.608 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 63' ' ' LEU . 52.8 mt-30 -142.27 138.92 31.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.495 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -84.56 154.2 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 m -150.19 178.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.691 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.3 147.54 41.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.38 131.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -139.9 -87.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt 43.1 -116.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.88 163.17 34.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.11 167.58 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.712 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 14' ' ' LEU . . . 140.15 145.73 4.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 13' ' ' GLY . 0.3 OUTLIER -35.02 148.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.593 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.52 -165.17 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' B' ' 20' ' ' ALA . . . -83.74 -25.86 30.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 8.7 mtt-85 -65.96 -54.89 24.71 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_endo -69.56 -41.95 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.086 1.858 . . . . 0.0 112.157 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -33.4 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.819 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' B' ' 16' ' ' ALA . . . -66.28 -39.72 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.775 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.39 -34.55 78.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.61 -45.15 13.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 54.5 t -70.16 -31.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.49 -24.86 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.59 ' N ' ' OE1' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -69.25 -45.7 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 29' ' ' PHE . . . -73.59 -26.1 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -54.94 -23.83 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.031 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' B' ' 29' ' ' PHE . 56.0 mtt180 -95.02 -0.38 53.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.856 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' B' ' 26' ' ' ALA . 61.9 m-85 -149.41 132.93 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 111.42 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.591 ' O ' ' N ' ' B' ' 32' ' ' ASP . 1.4 t -69.17 -33.82 73.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.74 87.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' THR . 22.3 m-20 -45.8 132.18 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' B' ' 44' ' ' ALA . 2.9 t -106.15 128.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.18 150.16 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.503 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -139.77 130.16 25.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -129.63 144.33 51.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.47 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.16 120.65 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 38' ' ' ASP . 11.2 t0 66.81 20.5 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.73 -22.46 21.23 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -75.12 103.48 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -95.47 143.49 26.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.21 -179.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.438 ' C ' HD21 ' B' ' 43' ' ' ASN . 0.2 OUTLIER -47.78 -62.54 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.584 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 167.57 -20.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 10.2 pttp -178.02 -7.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.0 m -55.56 126.9 27.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.48 -35.22 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 42.2 mtt -56.08 -42.7 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.77 61.49 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -49.08 -28.72 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -75.53 -52.67 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 mt -91.43 -163.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.73 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.64 179.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.68 151.36 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.8 p -51.09 125.46 13.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.28 -6.64 53.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 30.5 m -82.88 163.3 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 110.516 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' B' ' 59' ' ' THR . 32.2 mt-10 -131.75 175.05 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.79 139.61 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -84.16 100.0 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' B' ' 63' ' ' LEU . 5.0 tt -88.7 117.21 27.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mt -127.23 116.81 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -120.46 116.5 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.798 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -107.33 104.42 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.392 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.45 170.87 38.87 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.56 -44.52 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.559 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.5 m-20 -92.58 29.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.346 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.84 8.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.559 ' H ' ' C ' ' B' ' 69' ' ' ASP . 25.3 tt0 -50.66 -33.14 21.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.621 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 73' ' ' ALA . 2.3 pp20? -51.21 -38.61 53.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.027 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' B' ' 72' ' ' GLU . . . -64.7 -46.29 82.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.723 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.59 -43.94 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.974 0.416 . . . . 0.0 111.52 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.36 -66.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.57 -68.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.2 mp -50.18 -51.69 41.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.65 -30.85 63.79 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.27 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.07 -45.69 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.398 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.22 -44.25 88.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.299 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.38 -18.91 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -66.59 -4.26 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.717 ' N ' ' H ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.573 ' N ' ' OE1' ' B' ' 70' ' ' GLU . 21.3 t -150.28 129.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.437 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.595 HE21 ' NE2' ' B' ' 66' ' ' GLN . 8.8 pt20 -140.38 146.38 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.26 159.08 42.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.453 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.28 162.25 29.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.29 179.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 53.6 mt-10 -122.51 153.96 38.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.87 111.81 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.23 -1.28 16.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.603 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -51.07 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HZ1' ' CB ' ' A' ' 11' ' ' LYS . 7.2 mtmp? -90.48 137.9 31.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.57 130.1 36.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.57 -177.4 40.07 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.62 147.36 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -84.54 -167.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.507 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.24 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 mtt-85 -76.02 -50.0 3.19 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.912 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.7 Cg_exo -56.55 -41.35 76.89 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.277 1.985 . . . . 0.0 111.878 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.95 84.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.36 86.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.22 -26.72 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.65 -48.15 82.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . 35.6 t -71.16 -32.7 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.484 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -51.95 -49.26 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.0 109.934 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.41 -36.76 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.92 -18.67 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.344 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' VAL . 46.5 t-20 -50.62 -24.13 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 110.076 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -98.37 21.79 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.617 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CG ' ' NZ ' ' A' ' 45' ' ' LYS . 18.7 p90 -36.86 125.75 0.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.227 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 p -131.48 3.2 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.653 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 66' ' ' GLN . 1.2 t -153.5 -1.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.323 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER 76.22 131.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 14.6 t -113.6 128.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.455 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -136.79 122.32 19.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.28 137.04 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.431 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.65 143.93 50.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.18 111.98 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 57.25 25.92 11.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.73 -19.0 56.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.14 112.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.29 153.59 23.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.576 ' C ' ' H ' ' A' ' 44' ' ' ALA . 1.5 m -117.23 170.58 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.332 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 38.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.576 ' H ' ' C ' ' A' ' 42' ' ' VAL . . . 59.44 -94.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.681 ' NZ ' ' CG ' ' A' ' 29' ' ' PHE . 14.2 pttt -110.9 75.25 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 3.5 p -134.28 127.57 32.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.58 -42.17 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.2 mtm -70.28 -40.55 74.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . -53.15 -57.72 14.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -46.89 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.3 ttt -51.95 -43.75 63.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -58.3 -36.12 72.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.39 133.71 48.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.78 110.07 15.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.94 164.16 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -120.75 169.87 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 p -59.15 129.3 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.87 -21.83 37.13 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 39.8 m -65.09 169.61 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 59' ' ' THR . 12.5 pt-20 -136.25 167.39 21.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.69 137.77 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 m -87.73 100.53 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.78 145.56 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.8 mt -131.94 116.8 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 111.084 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -139.03 115.01 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.842 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.616 ' NE2' HE21 ' B' ' 3' ' ' GLN . 32.1 mt-30 -136.09 130.95 34.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.672 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.73 ' H ' ' N ' ' B' ' 1' ' ' MET . . . 155.36 166.11 15.12 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 26.2 tp10 -72.68 69.74 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 110.818 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 71' ' ' GLN . 2.9 m-20 175.24 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.655 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 2' ' ' VAL . 7.4 pt-20 29.52 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.143 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 69' ' ' ASP . 31.1 tt0 -75.0 -52.46 11.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.659 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 19.9 mp0 -63.21 -33.58 75.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.64 44.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.1 mt -82.95 -43.16 16.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 29.1 tt0 -69.44 -66.49 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.34 -64.34 1.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.36 -52.23 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.754 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.93 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.561 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.97 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -74.34 -34.4 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 55.9 t -68.62 -15.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 84' ' ' GLU . 21.6 mt-30 -119.64 69.27 0.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 82' ' ' GLN . 48.4 mt-10 -36.37 94.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.564 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' GLN . 15.9 tp10 -174.41 77.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.73 ' N ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.578 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 21.3 t -150.18 129.39 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.616 HE21 ' NE2' ' A' ' 66' ' ' GLN . 8.9 pt20 -140.05 146.49 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.078 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.29 159.19 42.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -71.4 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.51 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.24 179.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.545 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.517 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 53.5 mt-10 -122.5 154.11 38.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -95.99 111.75 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.27 -1.28 16.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.15 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HZ1' ' CB ' ' B' ' 11' ' ' LYS . 7.2 mtmp? -90.47 137.8 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.435 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.49 130.24 36.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.79 -177.52 40.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.53 147.34 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.588 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -84.54 -167.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -19.19 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 5.3 mtt-85 -76.11 -50.07 3.1 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.945 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.4 Cg_exo -56.41 -41.58 74.71 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.388 2.059 . . . . 0.0 111.835 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.21 85.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.51 87.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.08 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.57 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 27' ' ' ASN . 34.7 t -71.17 -32.68 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -51.89 -49.36 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 109.932 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.3 -36.72 83.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.909 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.02 -18.62 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.305 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' B' ' 23' ' ' VAL . 46.4 t-20 -50.63 -24.03 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 110.125 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -98.47 21.72 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.683 ' CG ' ' NZ ' ' B' ' 45' ' ' LYS . 18.5 p90 -36.86 125.73 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -131.48 3.23 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 66' ' ' GLN . 1.2 t -153.51 -1.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.316 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' B' ' 31' ' ' SER . 1.0 OUTLIER 76.21 131.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 14.3 t -113.62 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -136.77 122.19 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.386 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -100.07 137.13 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.73 143.95 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.19 111.97 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 57.3 25.79 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.86 -18.93 56.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.23 112.33 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.25 153.44 23.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.571 ' C ' ' H ' ' B' ' 44' ' ' ALA . 1.5 m -117.23 170.52 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.8 38.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.571 ' H ' ' C ' ' B' ' 42' ' ' VAL . . . 59.51 -94.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.683 ' NZ ' ' CG ' ' B' ' 29' ' ' PHE . 14.2 pttt -110.93 75.35 0.92 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 49' ' ' GLY . 3.5 p -134.36 127.47 31.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.55 -42.13 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 41.4 mtm -70.49 -40.36 73.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.664 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' B' ' 46' ' ' SER . . . -53.23 -57.64 14.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.68 -46.85 87.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -52.06 -43.6 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 m -58.33 -36.06 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.53 133.68 47.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.71 109.99 15.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.88 164.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.9 p -120.83 169.79 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -59.02 129.21 41.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 -21.83 37.08 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 39.1 m -65.11 169.67 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' B' ' 59' ' ' THR . 12.5 pt-20 -136.28 167.4 21.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.65 137.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -87.73 100.52 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.76 145.48 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.049 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 28.8 mt -131.81 116.76 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.439 . . . . 0.0 111.134 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -138.95 114.9 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.849 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.595 ' NE2' HE21 ' A' ' 3' ' ' GLN . 32.1 mt-30 -135.96 130.98 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.717 ' H ' ' N ' ' A' ' 1' ' ' MET . . . 155.32 165.98 14.92 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' B' ' 69' ' ' ASP . 26.2 tp10 -72.59 69.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 71' ' ' GLN . 2.9 m-20 175.17 -71.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.672 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' A' ' 2' ' ' VAL . 7.5 pt-20 29.56 33.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.12 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' B' ' 69' ' ' ASP . 31.0 tt0 -75.1 -52.46 10.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.538 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.0 mp0 -63.19 -33.54 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.65 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 34.7 mt -82.88 -43.23 16.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.369 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 29.0 tt0 -69.43 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.26 -64.36 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.41 -52.24 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.772 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.05 65.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.543 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.99 -41.08 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -74.15 -34.6 63.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 55.9 t -68.37 -15.55 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.484 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' B' ' 83' ' ' GLU . 21.6 mt-30 -119.48 69.4 0.83 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 82' ' ' GLN . 48.9 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.624 ' CB ' ' H ' ' B' ' 67' ' ' GLY . 6.3 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 59.1 t -158.26 161.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.46 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.508 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 3.6 pt20 -166.87 143.58 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -142.17 167.48 22.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -71.12 157.08 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.17 171.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.6 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -118.74 140.19 50.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 t -72.74 142.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -152.8 -3.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 10.2 mp -49.81 164.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.77 160.83 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -143.81 148.17 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.72 -166.24 36.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.77 154.6 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.8 -36.17 14.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -63.01 -49.34 81.91 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.027 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.9 Cg_exo -56.21 -42.49 65.65 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.101 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.25 82.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.48 99.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -46.04 -43.02 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.12 -34.21 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.05 -26.51 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -45.5 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.13 -26.37 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -49.86 -29.75 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.68 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -93.06 -11.52 32.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.287 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' ALA . 90.4 m-85 -138.68 114.52 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.575 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 32' ' ' ASP . 24.5 p -90.67 37.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 32' ' ' ASP . 20.5 p -75.19 14.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 31' ' ' SER . 1.5 m-20 49.5 103.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 3.2 t -109.67 128.47 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.5 m-85 -132.94 121.81 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.637 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.93 121.55 37.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.194 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' LYS . 19.1 tt0 -116.7 158.6 23.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.895 0.378 . . . . 0.0 110.787 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 pttp -178.89 131.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.19 23.93 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.81 -23.92 14.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.32 151.02 21.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -145.99 -179.49 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.75 174.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.514 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 56.8 t30 -43.16 -65.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 157.98 -28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -179.79 54.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.85 142.65 49.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.79 -50.24 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.5 -23.37 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.09 -54.91 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.73 -28.11 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.56 -16.73 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -50.08 -61.25 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -161.18 -169.13 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.58 166.49 24.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.522 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.2 m -96.36 -149.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.0 m -144.31 149.28 35.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -46.93 124.99 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.89 -29.92 10.52 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.1 m -62.42 137.05 58.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.447 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.92 160.08 15.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.72 136.98 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.9 m -88.01 115.69 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.33 144.86 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.36 116.82 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -154.23 114.71 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.83 136.01 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.47 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.596 ' H ' ' CB ' ' B' ' 1' ' ' MET . . . 142.97 -168.66 25.94 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.7 59.83 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.79 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.84 2.37 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' A' ' 69' ' ' ASP . 11.0 tt0 -51.81 -50.47 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.29 -47.15 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.487 -179.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -51.1 -54.73 22.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.12 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -82.49 -48.27 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.805 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 71' ' ' GLN . 18.6 tt0 -69.21 -66.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -79.45 -64.96 1.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.0 tp -49.75 -47.52 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.15 66.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.203 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.63 -32.84 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -77.23 -48.53 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.14 -16.81 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 16.2 mt-30 -116.61 62.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.42 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLN . 29.5 mm-40 -36.75 96.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' GLN . 22.5 mt-10 -56.4 -179.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.575 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.596 ' CB ' ' H ' ' A' ' 67' ' ' GLY . 6.2 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 58.5 t -158.16 162.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.512 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 3.6 pt20 -167.55 143.4 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -142.15 167.36 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.06 157.07 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.12 171.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.89 140.14 50.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.66 142.86 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -153.02 -3.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -49.83 164.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.78 160.82 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -143.86 148.08 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.86 -166.34 37.04 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.68 154.66 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.25 14.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.9 OUTLIER -62.98 -49.31 82.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.021 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.6 Cg_exo -56.19 -42.63 64.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.131 . . . . 0.0 112.028 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.1 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.56 98.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.72 -39.25 93.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.9 -43.01 13.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.14 -34.26 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -59.94 -26.7 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.63 -45.43 52.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -77.16 -26.4 53.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -49.87 -29.82 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.643 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -93.02 -11.49 32.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.351 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' B' ' 26' ' ' ALA . 90.5 m-85 -138.6 114.47 9.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.459 ' C ' ' H ' ' B' ' 32' ' ' ASP . 24.1 p -90.69 37.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 32' ' ' ASP . 20.6 p -75.25 14.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 31' ' ' SER . 1.5 m-20 49.42 103.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 3.2 t -109.67 128.58 65.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.196 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.5 m-85 -133.01 121.75 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.659 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -96.02 121.46 37.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.175 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 37' ' ' LYS . 19.2 tt0 -116.6 158.51 23.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.869 0.366 . . . . 0.0 110.784 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 16.4 pttp -178.81 131.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 57.13 23.87 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 -23.99 14.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.28 151.05 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -146.05 -179.44 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.743 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.77 174.01 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 56.9 t30 -43.09 -65.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 157.96 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -179.72 54.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.372 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.86 142.66 49.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.75 -50.24 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.47 -23.46 25.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 -54.94 3.94 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.69 -28.21 68.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.48 -16.89 10.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -50.04 -61.37 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.581 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' B' ' 53' ' ' LEU . 0.4 OUTLIER -161.1 -169.18 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.48 166.56 24.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.44 -149.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.2 m -144.25 149.25 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -46.95 125.19 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.92 -30.16 10.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 29.6 m -62.44 137.04 58.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.525 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.91 160.01 15.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.65 137.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.1 m -88.14 115.78 25.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -89.35 144.67 25.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.173 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.405 HG23 HE22 ' A' ' 3' ' ' GLN . 76.7 mt -135.21 116.92 20.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.816 0.341 . . . . 0.0 110.81 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -154.34 114.62 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.307 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.79 136.32 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.624 ' H ' ' CB ' ' A' ' 1' ' ' MET . . . 142.76 -168.41 25.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.06 59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.734 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.624 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.76 2.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.581 ' H ' ' C ' ' B' ' 69' ' ' ASP . 11.0 tt0 -51.72 -50.49 60.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.31 -47.19 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.397 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' B' ' 72' ' ' GLU . . . -51.14 -54.6 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.108 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -82.59 -48.21 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 0.0 111.788 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 71' ' ' GLN . 18.8 tt0 -69.26 -66.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -79.56 -64.84 1.09 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' B' ' 72' ' ' GLU . 2.0 tp -49.79 -47.44 51.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.18 66.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.245 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.64 -32.75 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -77.14 -48.72 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.493 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.1 -16.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.436 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' B' ' 83' ' ' GLU . 16.2 mt-30 -116.48 63.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 82' ' ' GLN . 29.4 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 65' ' ' ALA . 19.9 m -145.34 174.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.271 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.17 119.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -142.52 142.01 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.79 160.27 29.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.29 179.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -123.18 159.29 28.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.71 146.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.47 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 10' ' ' LEU . 8.1 ttt85 -151.25 -4.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 9' ' ' ARG . 10.7 mp -40.98 166.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.618 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.87 163.56 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -147.83 134.55 19.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.44 43.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 15' ' ' GLN . 0.2 OUTLIER -86.54 122.95 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' LEU . 75.9 mt-30 -51.82 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.98 -13.33 33.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.23 -49.76 3.06 Favored Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.006 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.0 Cg_exo -56.46 -44.03 49.83 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.413 2.075 . . . . 0.0 112.012 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.9 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.67 81.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.09 -29.37 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -51.79 -46.59 64.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 42.5 t -75.25 -33.4 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.92 -49.48 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.669 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.81 -38.55 85.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -74.61 -23.08 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -49.79 -27.11 4.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.152 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -93.49 19.2 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -94.89 -162.28 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.7 m -171.13 -2.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.002 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 15.3 p -95.43 -115.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 31' ' ' SER . 17.7 m-20 -160.85 135.66 7.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.142 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 58.5 t -106.02 137.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -145.78 121.65 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.7 118.06 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.646 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -119.37 125.48 49.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.7 142.17 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 40' ' ' LYS . 3.9 m-20 51.97 38.73 24.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.25 -12.29 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 38' ' ' ASP . 55.2 mttm -81.37 156.18 25.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.821 0.344 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -148.3 145.84 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.682 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' ASN . 12.5 m -116.3 159.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' VAL . 17.2 m-20 -36.53 -45.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.342 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 165.53 -102.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 34.0 pttt -104.29 12.71 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.7 m -53.89 138.0 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.5 -54.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.2 mtm -65.21 -21.04 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.46 90.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.84 -53.82 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.344 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.4 -21.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.54 -48.0 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -86.29 -150.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 161.25 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.84 -172.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -149.51 177.11 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.553 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.521 ' N ' ' OG ' ' A' ' 56' ' ' SER . 5.5 m -72.73 127.05 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.24 -23.3 36.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 56' ' ' SER . 49.3 p -55.74 174.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -146.76 166.73 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.22 141.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.63 100.74 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.65 120.8 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.778 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.74 126.43 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.24 118.13 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.485 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.32 111.55 21.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.374 . . . . 0.0 110.665 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.52 -162.81 30.48 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' A' ' 70' ' ' GLU . 19.9 tt0 -95.67 -47.88 6.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.574 ' C ' ' H ' ' A' ' 71' ' ' GLN . 2.5 m-20 -63.7 4.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.384 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.5 pp20? -59.27 0.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.574 ' H ' ' C ' ' A' ' 69' ' ' ASP . 7.1 tt0 -54.67 -54.64 39.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.751 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -51.64 -25.74 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.47 -54.84 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.68 -35.61 26.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.309 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.79 -66.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.07 -62.37 1.58 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.19 -35.5 26.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.31 47.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.654 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.27 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -72.48 -54.04 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.641 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.16 -14.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.52 -0.12 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 42.55 38.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.06 143.82 25.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.533 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' ALA . 19.8 m -145.28 174.5 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.299 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.15 119.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -142.47 142.01 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.52 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.82 160.17 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.23 179.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -123.08 159.26 28.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.64 146.14 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' B' ' 10' ' ' LEU . 8.0 ttt85 -151.22 -4.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' B' ' 9' ' ' ARG . 10.7 mp -40.73 166.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.9 163.59 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -147.8 134.59 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.34 43.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' B' ' 15' ' ' GLN . 0.2 OUTLIER -86.57 122.94 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 110.587 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LEU . 75.8 mt-30 -51.81 -168.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.01 -13.41 33.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -76.24 -49.8 3.04 Favored Pre-proline 0 CA--C 1.531 0.24 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.964 -179.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.4 Cg_exo -56.48 -44.03 49.77 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.445 2.097 . . . . 0.0 111.989 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.93 69.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mp -77.06 -29.39 55.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.79 -46.6 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 42.5 t -75.26 -33.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.999 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.96 -49.51 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.83 -38.49 85.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -74.57 -23.18 58.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 0.0 110.392 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -49.72 -27.26 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -93.39 19.08 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -94.83 -162.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.7 m -171.13 -2.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.025 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' B' ' 32' ' ' ASP . 14.7 p -95.43 -115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' SER . 17.8 m-20 -160.82 135.7 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 59.1 t -105.99 137.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 110.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.76 121.64 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.59 118.06 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.38 125.57 49.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.74 142.24 21.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' B' ' 40' ' ' LYS . 3.9 m-20 51.89 38.8 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.14 -12.28 1.22 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' B' ' 38' ' ' ASP . 55.3 mttm -81.39 156.14 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -148.22 145.91 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' B' ' 43' ' ' ASN . 12.2 m -116.38 159.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' B' ' 42' ' ' VAL . 17.1 m-20 -36.68 -45.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.179 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 165.6 -102.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 34.2 pttt -104.24 12.68 33.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 75.8 m -53.81 137.99 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.42 -54.47 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 27.3 mtm -65.15 -21.14 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.13 -47.53 90.63 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.79 -53.84 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.463 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.41 -21.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.55 -47.88 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.588 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.19 -150.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.498 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.63 161.25 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.81 -172.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 57' ' ' THR . 1.0 OUTLIER -149.56 177.14 10.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.511 ' N ' ' OG ' ' B' ' 56' ' ' SER . 5.4 m -72.62 127.08 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.1 -23.3 36.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 56' ' ' SER . 50.6 p -55.63 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.631 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.88 166.59 26.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.14 141.35 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.338 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.65 100.68 12.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.62 120.85 32.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.77 126.34 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.118 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.17 118.22 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.471 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.32 111.47 21.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.698 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.49 -162.77 30.45 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.263 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 70' ' ' GLU . 20.0 tt0 -95.67 -47.86 6.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.573 ' C ' ' H ' ' B' ' 71' ' ' GLN . 2.5 m-20 -63.87 4.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -59.35 0.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.542 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' B' ' 69' ' ' ASP . 7.1 tt0 -54.77 -54.57 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.73 -25.73 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.44 -54.88 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.963 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt -82.62 -35.72 26.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.908 0.385 . . . . 0.0 111.255 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.83 -66.22 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.08 -62.46 1.56 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.16 -35.49 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.729 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.31 -50.3 47.9 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.21 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.677 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.59 -54.0 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.25 -14.67 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.57 -0.05 41.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 42.54 38.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.04 143.78 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.517 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' O ' ' B' ' 67' ' ' GLY . 41.0 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.586 ' N ' ' OE2' ' B' ' 70' ' ' GLU . 9.5 t -148.48 129.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.43 143.66 31.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.667 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -142.39 142.45 32.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' NZ ' ' OG1' ' B' ' 62' ' ' THR . 13.2 ttmm -66.39 162.44 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.326 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 2.7 m -147.46 179.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.701 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -125.37 140.62 52.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.45 134.22 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.656 ' NH2' ' NE2' ' B' ' 82' ' ' GLN . 15.6 ttp180 -145.24 8.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.08 -178.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.37 168.01 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -150.4 158.82 44.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.498 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.94 158.3 19.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.524 ' CD1' ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.53 141.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -67.87 -162.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -41.67 11.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.2 mtt-85 -56.04 -49.45 93.01 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.907 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.7 Cg_exo -55.99 -38.03 95.29 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.379 2.053 . . . . 0.0 111.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.01 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.13 -33.78 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.99 -28.87 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.59 -41.6 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 27' ' ' ASN . 54.7 t -74.22 -34.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -52.41 -49.02 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.9 -36.89 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -18.72 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 23' ' ' VAL . 56.3 t30 -53.07 -21.92 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' PHE . 87.5 mtt180 -96.14 16.05 19.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.804 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD2' ' N ' ' A' ' 30' ' ' THR . 29.0 p90 -34.06 -63.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.129 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 1.8 m 41.73 17.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.234 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 29' ' ' PHE . 87.7 p -152.29 -7.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 76.07 114.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 23.3 t -112.73 128.65 69.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.33 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.3 m-85 -133.49 121.79 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.727 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.21 117.89 30.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.129 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.59 149.41 34.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.887 0.375 . . . . 0.0 110.76 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 67.3 tttt -164.21 101.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 8.6 t0 75.61 35.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.86 -21.5 7.72 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.12 143.07 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.34 167.6 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ASN . 2.0 m -103.73 175.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.427 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.582 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 54.1 t-20 -40.49 -65.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 158.98 -23.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.522 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.33 63.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.79 143.29 48.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.451 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.75 -57.22 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.72 -24.51 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.89 88.83 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.01 -36.51 72.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mmt -54.01 -45.3 71.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.647 ' HG ' ' N ' ' A' ' 53' ' ' LEU . 27.0 p -62.78 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' HG ' ' A' ' 52' ' ' SER . 3.1 tt -91.56 107.92 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.48 148.32 24.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.464 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.18 -163.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 59' ' ' THR . 2.8 m -154.14 175.88 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.28 134.72 52.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.36 -8.82 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 56' ' ' SER . 77.0 p -75.85 172.66 12.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -142.81 158.78 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 4.8 p -141.63 122.9 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.537 ' OG1' ' NZ ' ' B' ' 5' ' ' LYS . 60.7 m -76.27 104.6 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.24 142.77 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.75 116.66 46.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -145.86 114.94 7.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.082 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -126.84 119.26 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.523 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 159.37 -156.07 27.18 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -101.62 -51.94 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.9 m-20 -73.02 3.34 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' B' ' 2' ' ' VAL . 15.1 pt-20 -60.04 1.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.401 . . . . 0.0 110.362 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 69' ' ' ASP . 19.5 tt0 -50.68 -48.66 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.479 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -51.64 -25.78 7.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.52 -36.11 26.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.306 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.94 -66.16 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.05 -63.16 1.4 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.0 -34.71 22.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.27 -41.67 76.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.492 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.61 -31.66 53.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.89 -46.65 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.32 -25.84 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.671 ' NE2' ' NH2' ' B' ' 9' ' ' ARG . 16.3 mm100 -95.72 25.29 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 59.83 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.91 144.89 47.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.591 ' N ' ' O ' ' A' ' 67' ' ' GLY . 41.1 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.583 ' N ' ' OE2' ' A' ' 70' ' ' GLU . 9.4 t -148.51 129.61 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -144.37 143.63 31.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -142.29 142.4 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.635 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.537 ' NZ ' ' OG1' ' A' ' 62' ' ' THR . 13.3 ttmm -66.29 162.51 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.52 ' N ' ' CG ' ' B' ' 5' ' ' LYS . 2.7 m -147.48 179.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -125.33 140.64 52.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.44 134.26 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.671 ' NH2' ' NE2' ' A' ' 82' ' ' GLN . 15.8 ttp180 -145.33 8.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.09 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -93.28 168.19 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.588 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.1 p -150.62 158.63 44.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.04 158.4 20.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.523 ' H ' ' CD1' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -40.6 141.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.04 -162.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 -41.69 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.2 mtt-85 -55.97 -49.52 92.54 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.942 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_exo -55.9 -37.97 95.2 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.39 2.06 . . . . 0.0 112.013 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.2 -35.93 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.14 -33.79 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.07 -29.02 57.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.466 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.4 -41.65 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' B' ' 27' ' ' ASN . 54.2 t -74.22 -34.78 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.48 -49.13 65.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -71.69 -36.9 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.65 58.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' B' ' 23' ' ' VAL . 56.3 t30 -53.13 -21.97 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 29' ' ' PHE . 87.5 mtt180 -96.04 15.96 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.84 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' B' ' 30' ' ' THR . 29.1 p90 -33.92 -63.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.653 ' N ' ' CD2' ' B' ' 29' ' ' PHE . 1.7 m 41.83 17.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.231 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.588 ' N ' ' O ' ' B' ' 29' ' ' PHE . 87.9 p -152.29 -7.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.035 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.3 OUTLIER 75.99 114.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.671 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 23.3 t -112.79 128.69 69.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.293 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.6 m-85 -133.5 121.82 22.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.19 117.81 30.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.58 149.38 34.58 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.907 0.384 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 67.1 tttt -164.18 101.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' B' ' 37' ' ' LYS . 8.7 t0 75.72 35.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.98 -21.53 7.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -92.07 143.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.4 167.54 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.76 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.575 ' O ' ' CE2' ' B' ' 34' ' ' PHE . 54.2 t-20 -40.41 -65.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 158.8 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.31 63.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 143.26 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.445 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -59.71 -57.18 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.58 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.96 88.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.98 -36.53 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -54.01 -45.2 71.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.65 ' HG ' ' N ' ' B' ' 53' ' ' LEU . 27.5 p -62.96 -39.92 96.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.65 ' N ' ' HG ' ' B' ' 52' ' ' SER . 3.1 tt -91.52 107.93 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.42 148.29 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.21 -163.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' B' ' 59' ' ' THR . 2.8 m -154.1 175.84 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.19 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.15 -8.8 72.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 56' ' ' SER . 76.7 p -76.01 172.65 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -142.74 158.85 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 4.7 p -141.67 122.88 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' THR . . . . . 0.557 ' OG1' ' NZ ' ' A' ' 5' ' ' LYS . 61.0 m -76.29 104.67 6.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.22 142.73 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.66 116.65 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.348 . . . . 0.0 110.61 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -145.89 114.86 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -126.81 119.29 26.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 159.47 -156.15 27.28 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -101.67 -51.82 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.9 m-20 -73.07 3.44 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.586 ' OE2' ' N ' ' A' ' 2' ' ' VAL . 15.1 pt-20 -60.3 1.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.589 ' H ' ' C ' ' B' ' 69' ' ' ASP . 19.5 tt0 -50.85 -48.58 59.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -51.75 -25.68 8.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.54 -54.62 21.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -82.47 -36.02 26.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.824 0.345 . . . . 0.0 111.248 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -70.03 -66.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -49.94 -34.69 21.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.83 76.48 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.477 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.49 -31.52 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.1 -46.44 61.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.47 -25.84 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.656 ' NE2' ' NH2' ' A' ' 9' ' ' ARG . 16.4 mm100 -95.68 25.36 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 59.79 153.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.89 145.1 46.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.561 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.619 ' H2 ' ' N ' ' B' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.518 ' CG1' ' H ' ' A' ' 3' ' ' GLN . 42.9 t -148.71 172.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.518 ' H ' ' CG1' ' A' ' 2' ' ' VAL . 9.6 pt20 179.69 132.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.27 127.11 18.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.06 150.99 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.03 166.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -96.67 150.79 20.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.2 t -80.98 145.5 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' LEU . 31.7 ttm180 -151.69 -79.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ARG . 21.4 mt 36.2 -133.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -136.8 146.03 45.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 p -123.74 165.25 17.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.27 165.8 21.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 mt -42.31 153.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.8 -164.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.94 -21.03 21.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.05 -49.46 3.29 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.963 -179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.4 Cg_exo -56.23 -51.03 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.433 2.089 . . . . 0.0 111.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 -47.7 65.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.01 -26.87 62.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -56.17 -45.93 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . 42.7 t -75.22 -31.93 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -51.81 -46.12 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.958 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.67 -37.1 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.963 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -78.38 -19.94 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' VAL . 3.1 t30 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.0 19.87 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.675 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ALA . 38.9 p90 -39.75 134.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 t -148.77 8.44 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 66' ' ' GLN . 3.3 t -156.72 8.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.54 121.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 14.0 t -111.51 128.88 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.22 122.67 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.93 131.45 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -137.05 136.36 38.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -171.22 134.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 52.97 30.45 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.87 -12.74 34.31 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -71.31 148.12 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 43.3 tttp -145.66 163.15 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 4.4 m -145.2 175.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 14.2 t-20 -45.6 -65.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 161.29 -21.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.93 61.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -126.0 140.11 52.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.72 -41.16 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.31 -25.98 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.63 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.72 -53.31 28.38 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.95 -43.63 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.624 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.34 -49.65 76.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.3 m -49.81 -30.24 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.95 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.08 135.93 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.6 172.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.452 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 59' ' ' THR . 7.5 t -151.16 156.74 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 p -47.13 121.61 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.493 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.99 2.82 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 56' ' ' SER . 13.6 p -54.99 175.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.325 . . . . 0.0 110.533 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -139.1 163.09 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 11.8 p -137.27 113.06 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -97.06 99.7 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.59 132.64 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -117.15 116.99 53.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -124.25 117.86 25.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.648 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.8 pt20 -117.01 117.53 29.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.626 ' N ' ' H2 ' ' B' ' 1' ' ' MET . . . 174.34 -152.98 15.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 70' ' ' GLU . 5.0 mp0 -109.23 -32.71 7.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 71' ' ' GLN . 14.1 m-20 -90.66 -57.19 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.934 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 7.0 pm0 25.59 35.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.948 0.78 . . . . 0.0 111.283 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.72 5.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.236 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.28 -25.9 6.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.51 20.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -82.47 -41.53 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.0 111.068 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.17 -52.2 30.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.01 0.5 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 mp -50.5 -53.49 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.15 -40.41 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.729 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.22 -34.88 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -76.99 -36.37 56.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -77.81 -12.5 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 4.8 tt0 -116.46 36.03 4.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 38.4 mt-10 37.53 82.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 40.21 -148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.0 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.626 ' H2 ' ' N ' ' A' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' B' ' 3' ' ' GLN . 43.3 t -148.84 172.44 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.317 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.516 ' H ' ' CG1' ' B' ' 2' ' ' VAL . 9.6 pt20 179.49 132.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.745 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.3 127.05 18.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.02 150.87 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -150.01 166.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -96.61 150.95 20.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 50.7 t -81.12 145.52 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 10' ' ' LEU . 31.8 ttm180 -151.72 -80.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 9' ' ' ARG . 21.4 mt 36.33 -133.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -136.9 145.9 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.1 p -123.7 165.25 17.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.38 165.83 21.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 58.7 mt -42.37 152.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.692 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -87.68 -164.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.17 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -75.89 -49.48 3.42 Favored Pre-proline 0 CA--C 1.533 0.295 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.969 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.9 Cg_exo -56.1 -51.09 10.26 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.364 2.042 . . . . 0.0 112.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.17 89.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.11 -26.78 62.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.24 -45.97 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . 42.9 t -75.15 -31.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.772 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -51.8 -45.99 64.08 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.022 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.71 -37.17 86.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.007 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.41 -19.75 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' VAL . 3.1 t30 -49.82 -22.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.128 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.25 20.01 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.634 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 26' ' ' ALA . 38.9 p90 -39.88 134.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.949 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -148.71 8.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.925 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 66' ' ' GLN . 3.3 t -156.79 8.47 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.372 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.39 121.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 13.7 t -111.48 128.8 67.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.14 122.61 38.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.88 131.48 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.397 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -137.09 136.28 38.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.542 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -171.13 134.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 52.96 30.55 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 -12.71 34.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -71.44 148.13 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 43.6 tttp -145.59 163.18 35.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 4.4 m -145.3 175.5 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.626 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 14.0 t-20 -45.5 -65.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 161.35 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.88 61.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.501 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -125.94 140.05 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.549 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.69 -40.99 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.53 -25.92 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.49 27.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.85 -43.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' B' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -49.6 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -49.87 -30.23 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.88 2.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.93 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.53 172.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' B' ' 59' ' ' THR . 7.5 t -151.14 156.88 41.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 2.3 p -47.27 121.52 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.93 2.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 56' ' ' SER . 13.9 p -54.96 175.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.529 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -139.0 163.26 32.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 11.9 p -137.31 113.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.255 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -97.15 99.74 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.58 132.57 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.113 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mt -117.16 116.99 53.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -124.33 117.85 25.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.613 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.476 ' O ' ' OG ' ' B' ' 31' ' ' SER . 3.8 pt20 -116.96 117.64 30.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.674 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.619 ' N ' ' H2 ' ' A' ' 1' ' ' MET . . . 174.19 -152.98 15.61 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' C ' ' OE2' ' B' ' 70' ' ' GLU . 5.0 mp0 -109.29 -32.85 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.499 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' B' ' 71' ' ' GLN . 14.2 m-20 -90.51 -57.21 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.955 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' B' ' 70' ' ' GLU . 7.2 pm0 25.61 35.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.921 0.763 . . . . 0.0 111.317 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.78 5.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.254 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.3 -25.95 6.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.55 20.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.679 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.46 -41.46 19.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.024 0.44 . . . . 0.0 111.064 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.21 -52.19 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 mp -50.47 -53.37 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.26 77.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.784 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.78 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -77.06 -36.41 55.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.8 -12.42 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' B' ' 83' ' ' GLU . 4.8 tt0 -116.58 36.09 4.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 82' ' ' GLN . 38.6 mt-10 37.47 82.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 40.39 -147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 53.6 t -151.59 164.15 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.438 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 10.3 pt20 -179.86 119.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.43 128.36 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.54 155.5 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.13 176.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.639 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.32 137.82 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.464 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.69 132.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' LEU . 88.4 mtt180 -145.56 6.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ARG . 12.2 mt -50.13 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -78.28 179.55 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -146.56 169.48 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.63 176.22 38.72 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' H ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.19 130.43 35.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.485 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-30 -53.87 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.04 -19.91 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.7 mtp180 -76.12 -43.21 3.59 Favored Pre-proline 0 N--CA 1.466 0.366 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.879 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -57.14 -46.57 27.71 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.474 2.116 . . . . 0.0 112.198 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.688 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.37 72.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.66 -26.92 68.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.99 -60.17 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.222 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' ASN . 39.8 t -65.34 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.28 -43.79 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.732 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.43 -38.72 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -80.33 -17.78 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.1 t30 -53.6 -27.68 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.307 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 95.1 mtt180 -91.14 13.86 15.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.511 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -87.91 -161.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.565 ' HG1' ' CG ' ' A' ' 69' ' ' ASP . 2.0 m -167.39 -3.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.194 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -93.42 -126.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.69 139.78 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.171 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 62.2 t -109.57 139.17 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.894 0.378 . . . . 0.0 110.375 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -145.95 121.76 10.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.21 118.03 32.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.46 141.58 50.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.59 130.84 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 40' ' ' LYS . 5.7 m-20 49.43 40.35 18.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 -23.58 1.51 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 38' ' ' ASP . 38.0 mttm -73.82 125.75 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HZ3' ' CB ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -132.81 136.59 46.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.452 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.5 m -100.22 169.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.494 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -41.53 -48.84 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 169.56 -78.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 40.4 pttt -126.98 10.92 7.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -53.79 118.76 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 48' ' ' MET . 3.0 tt -53.73 -40.79 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.586 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 4.4 ptt? -72.35 -27.61 62.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.92 -39.93 49.22 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 7.2 mp -77.16 -36.57 55.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 ttt -56.15 -17.65 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.567 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.61 -55.01 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.45 133.7 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -157.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.674 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.06 -161.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.484 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 p -146.94 155.98 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.51 127.82 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.3 -23.71 31.03 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 m -64.78 149.87 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.308 . . . . 0.0 110.418 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.08 164.35 21.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.83 143.82 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.347 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -98.85 100.11 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.088 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.79 125.91 35.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.91 133.05 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 111.35 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -136.1 114.5 11.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.596 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -110.08 103.72 12.49 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.656 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.55 -160.19 32.49 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.96 -36.43 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.7 m-20 -73.9 2.17 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 2.6 pp20? -58.44 -0.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.2 tt0 -50.88 -52.55 40.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' A' ' 28' ' ' ARG . 63.0 mt-10 -54.92 -25.87 32.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.969 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.21 -55.27 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 110.954 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 10.4 mp -82.84 -33.55 27.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.961 0.41 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.42 -66.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.58 -63.51 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.17 -34.48 22.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.86 79.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.33 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.99 -27.92 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.8 mt-30 -98.26 21.5 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 82' ' ' GLN . 8.4 mt-10 57.66 145.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -148.38 89.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.517 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 53.6 t -151.67 164.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.528 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 10.3 pt20 -179.85 119.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -142.37 128.43 19.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.69 155.52 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.13 177.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -123.38 137.89 54.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.63 132.95 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 10' ' ' LEU . 87.6 mtt180 -145.75 6.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ARG . 12.2 mt -50.17 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.63 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -78.27 179.51 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -146.6 169.42 19.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.68 176.35 38.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.499 ' H ' ' CD2' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -80.29 130.49 35.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 14' ' ' LEU . 31.6 mt-30 -53.82 -165.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.15 -19.87 21.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.7 mtp180 -76.15 -43.09 3.54 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.0 Cg_exo -57.19 -46.6 27.38 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.482 2.121 . . . . 0.0 112.153 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.55 77.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.36 72.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.8 -26.79 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -53.03 -60.07 3.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 27' ' ' ASN . 39.8 t -65.51 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.178 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.43 -43.72 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.704 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -71.48 -38.71 71.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.593 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -80.22 -17.88 51.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 23' ' ' VAL . 32.2 t30 -53.56 -27.72 27.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.447 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 95.3 mtt180 -91.08 13.87 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.536 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -87.82 -161.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.575 ' HG1' ' CG ' ' B' ' 69' ' ' ASP . 2.0 m -167.5 -3.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.216 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.4 p -93.4 -126.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.82 139.84 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 63.7 t -109.56 139.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.398 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -146.08 121.85 10.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.237 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.26 118.07 32.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.52 141.83 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.527 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.78 130.87 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 40' ' ' LYS . 5.7 m-20 49.36 40.42 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 -23.39 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' B' ' 38' ' ' ASP . 38.1 mttm -74.01 125.77 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.548 ' CB ' ' HZ3' ' B' ' 41' ' ' LYS . 0.5 OUTLIER -132.74 136.47 46.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 m -100.18 169.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -41.55 -48.76 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 169.49 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.542 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 40.2 pttt -127.0 10.86 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -53.67 118.85 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 48' ' ' MET . 3.0 tt -53.92 -40.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.456 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 4.4 ptt? -72.49 -27.58 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.05 -39.66 49.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 7.2 mp -77.35 -36.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.68 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.6 ttt -56.28 -17.77 8.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -55.03 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.48 133.82 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.41 -157.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 m -138.13 -161.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 4.1 p -146.78 156.04 42.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.51 127.92 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.26 -23.68 31.2 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 44.6 m -64.88 149.79 48.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.0 164.26 21.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.79 143.88 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 13.4 m -98.94 100.22 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.92 125.95 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.9 132.95 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.048 0.451 . . . . 0.0 111.3 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -136.0 114.49 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.558 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -110.1 103.77 12.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.44 -160.26 32.5 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.297 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.92 -36.39 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.521 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.575 ' CG ' ' HG1' ' B' ' 30' ' ' THR . 7.7 m-20 -73.93 2.16 9.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.412 ' O ' ' OE1' ' B' ' 70' ' ' GLU . 2.7 pp20? -58.41 -0.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.573 ' H ' ' C ' ' B' ' 69' ' ' ASP . 39.1 tt0 -50.93 -52.64 40.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 28' ' ' ARG . 62.6 mt-10 -54.77 -25.79 30.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.27 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 10.4 mp -82.82 -33.56 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.994 0.426 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -70.31 -66.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.54 -63.54 1.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.13 -34.64 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.487 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.41 81.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.18 -46.21 91.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.06 -27.95 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.467 ' O ' ' O ' ' B' ' 83' ' ' GLU . 18.8 mt-30 -98.09 21.31 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' B' ' 82' ' ' GLN . 8.5 mt-10 57.78 145.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -148.32 89.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.506 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' H3 ' ' N ' ' B' ' 67' ' ' GLY . 26.2 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 60.1 t -147.36 171.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.507 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 12.0 pt20 -178.35 119.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 110.691 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -142.38 147.45 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -92.69 154.15 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.08 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -103.34 155.14 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -93.76 140.48 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -148.59 -8.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -43.49 151.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.45 128.29 35.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.25 129.53 55.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.64 -178.7 22.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 15' ' ' GLN . 6.9 mt -53.98 115.4 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' LEU . 1.8 mm100 -49.91 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' H ' HE21 ' A' ' 15' ' ' GLN . . . -83.94 -34.04 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 12.7 mtp180 -61.91 -54.47 50.46 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 37.5 Cg_endo -69.63 -30.48 22.83 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 121.958 1.772 . . . . 0.0 111.982 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.91 -33.14 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -50.65 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.61 -26.67 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.19 -46.55 72.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 27' ' ' ASN . 41.1 t -75.21 -32.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.8 -48.91 63.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.44 -36.79 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.132 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -74.39 -19.41 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.9 t30 -50.86 -23.12 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.437 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -96.13 19.93 10.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.654 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' N ' ' A' ' 30' ' ' THR . 23.7 p90 -38.67 -62.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.299 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.643 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m 44.56 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.075 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 29' ' ' PHE . 43.6 p -147.25 -12.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.186 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.5 OUTLIER 74.01 127.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.663 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 40.5 t -111.3 154.34 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.166 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 64.1 m-85 -149.62 121.87 8.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.617 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.92 143.26 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.88 140.08 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.601 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -167.9 148.26 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER 45.38 36.09 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.92 -23.2 0.7 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 38' ' ' ASP . 17.2 mttt -72.48 159.05 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.496 ' CG ' ' H ' ' A' ' 42' ' ' VAL . 41.9 tttm -137.56 170.87 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.496 ' H ' ' CG ' ' A' ' 41' ' ' LYS . 26.9 m -138.02 176.38 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 4.7 t-20 -52.15 -55.58 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 162.83 -48.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.438 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 25.1 pttt -153.33 -18.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t -53.84 146.58 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.8 mt -66.28 -44.35 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -49.0 -22.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.01 -47.95 12.38 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.19 -44.59 79.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.592 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.64 -34.23 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -58.7 -57.12 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.34 -153.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.76 -174.4 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 56' ' ' SER . 3.6 p -175.61 159.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.453 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -154.22 161.61 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -48.27 148.12 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.81 1.57 89.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 54.5 m -90.87 162.8 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 59' ' ' THR . 14.9 pt-20 -134.1 163.5 29.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.1 p -140.33 123.03 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -80.61 99.94 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.752 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tt -87.35 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.041 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.41 127.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -131.92 114.97 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.873 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -107.54 102.56 11.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.313 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' N ' ' H3 ' ' B' ' 1' ' ' MET . . . 159.96 -171.45 36.28 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.03 -33.52 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 71' ' ' GLN . 26.7 m-20 -73.33 -3.87 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.49 -5.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.564 ' H ' ' C ' ' A' ' 69' ' ' ASP . 18.4 tt0 -50.75 -47.04 59.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.426 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' OE1' ' O ' ' A' ' 69' ' ' ASP . 9.5 mp0 -59.86 -26.57 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.6 -54.25 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.776 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 74' ' ' LEU . 4.4 mm? -81.74 -38.18 26.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.97 -66.34 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.71 -64.68 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -50.12 -46.2 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.61 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.51 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.36 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.15 -40.8 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.7 t -67.97 -17.3 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -109.99 7.08 23.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 57.05 32.36 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.65 128.87 41.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.545 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.449 ' H3 ' ' N ' ' A' ' 67' ' ' GLY . 26.2 mmt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 60.4 t -147.48 170.69 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.51 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 11.9 pt20 -177.82 119.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.67 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -142.36 147.39 36.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -92.65 153.98 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -150.0 167.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.17 155.49 18.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.1 140.39 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -148.64 -8.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.62 151.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.46 128.35 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.35 129.51 55.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.472 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.57 -178.66 22.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 15' ' ' GLN . 6.9 mt -54.09 115.43 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' B' ' 14' ' ' LEU . 1.8 mm100 -49.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.457 ' H ' HE21 ' B' ' 15' ' ' GLN . . . -83.94 -34.12 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 12.6 mtp180 -61.82 -54.5 50.56 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 37.6 Cg_endo -69.67 -30.3 22.93 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.949 1.766 . . . . 0.0 112.049 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.1 65.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.6 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.59 -26.67 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.24 -46.71 72.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' B' ' 27' ' ' ASN . 40.8 t -75.15 -32.25 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.7 -49.01 63.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.916 0.389 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -72.36 -36.9 68.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.11 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -74.48 -19.28 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.485 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' B' ' 23' ' ' VAL . 7.0 t30 -50.87 -23.1 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.399 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -96.23 20.04 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.641 ' CG ' ' N ' ' B' ' 30' ' ' THR . 23.8 p90 -38.64 -62.49 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.241 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.641 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 1.7 m 44.45 14.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.054 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.572 ' N ' ' O ' ' B' ' 29' ' ' PHE . 45.3 p -147.3 -11.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.231 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.5 OUTLIER 73.84 127.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.756 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' B' ' 34' ' ' PHE . 40.6 t -111.12 154.39 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.192 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 33' ' ' VAL . 64.0 m-85 -149.76 121.92 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.877 0.37 . . . . 0.0 110.64 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.95 143.23 33.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.406 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -140.91 139.97 34.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -167.83 148.19 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.558 ' C ' ' H ' ' B' ' 40' ' ' LYS . 0.9 OUTLIER 45.5 36.07 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.89 -23.23 0.7 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' B' ' 38' ' ' ASP . 17.0 mttt -72.32 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 42.0 tttm -137.62 170.88 15.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 26.9 m -138.1 176.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 4.8 t-20 -52.17 -55.59 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 162.86 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 25.1 pttt -153.47 -18.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -53.78 146.67 13.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.36 -44.44 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -48.97 -22.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.06 -47.93 12.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.2 -44.58 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.7 -34.18 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -58.74 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.42 -153.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.73 -174.45 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' B' ' 56' ' ' SER . 3.6 p -175.66 159.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.484 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' B' ' 55' ' ' VAL . 1.1 m -154.08 161.59 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.648 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -48.14 147.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 1.53 89.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 54.7 m -90.84 162.88 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' B' ' 59' ' ' THR . 14.8 pt-20 -134.2 163.73 28.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 5.1 p -140.5 123.19 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -80.87 99.93 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.703 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tt -87.29 137.25 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.087 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.44 127.58 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -131.91 114.88 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.882 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -107.29 102.51 11.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.283 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' H3 ' ' A' ' 1' ' ' MET . . . 160.12 -171.59 36.43 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -92.8 -33.6 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.434 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 71' ' ' GLN . 26.7 m-20 -73.32 -3.73 28.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.56 -5.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.581 ' H ' ' C ' ' B' ' 69' ' ' ASP . 18.6 tt0 -50.81 -47.11 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' B' ' 69' ' ' ASP . 9.5 mp0 -59.74 -26.6 65.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.29 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.778 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' B' ' 74' ' ' LEU . 4.4 mm? -81.84 -38.13 25.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.005 0.431 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.98 -66.35 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.63 -64.88 1.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -50.01 -46.1 52.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.92 -39.46 74.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.576 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.4 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -60.11 -40.77 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 64.2 t -67.95 -17.47 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -109.78 6.98 23.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 56.99 32.55 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -94.9 128.75 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.521 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.732 ' H3 ' ' H ' ' B' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' B' ' 65' ' ' ALA . 55.6 t -155.65 156.45 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 2.8 pt20 -173.52 126.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.706 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.17 141.08 32.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.583 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.484 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 40.3 tt0 -102.67 143.67 32.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.74 144.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -144.41 -4.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.87 159.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.477 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.46 164.39 18.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 p -141.01 165.38 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.1 -176.83 47.22 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.61 152.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 -163.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -29.31 17.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.29 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.7 mtm-85 -69.58 -49.17 22.58 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.977 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -56.12 -49.41 15.44 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.46 -44.22 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.87 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.59 -26.88 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.95 -48.29 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' A' ' 27' ' ' ASN . 48.9 t -73.85 -32.81 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.63 -45.17 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.215 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.81 -36.85 70.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -86.38 1.6 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 23' ' ' VAL . 16.2 t-20 -71.74 -25.95 62.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -89.52 -7.35 55.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.868 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -49.91 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.22 -179.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.9 m -171.57 17.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.7 p -136.64 3.07 2.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.4 OUTLIER 70.64 127.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 94.4 t -111.55 128.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.675 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.63 121.58 38.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.67 121.37 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.21 138.62 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 23.4 tptp -152.96 109.67 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 9.7 t0 73.83 24.54 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.75 -18.48 52.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -95.06 150.26 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.67 165.77 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' ASN . 16.2 m -111.34 172.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' VAL . 17.8 t-20 -36.72 -54.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.442 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 168.69 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 19.1 pttt -140.94 11.01 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 p -59.22 140.36 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mt -67.05 -51.19 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mtt -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.45 -35.66 90.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.76 -34.15 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.598 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -70.98 -31.59 68.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.8 t -61.78 -63.36 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.03 63.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.79 161.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.47 -159.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.494 ' H ' ' HG1' ' A' ' 59' ' ' THR . 1.4 m -156.17 178.62 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 128.19 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.28 4.62 60.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.494 ' HG1' ' H ' ' A' ' 56' ' ' SER . 55.7 p -89.81 169.87 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.539 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.22 161.88 32.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.5 p -142.16 119.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.52 113.27 25.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -91.39 156.21 17.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.7 mt -143.79 121.41 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.005 0.431 . . . . 0.0 111.099 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.99 116.35 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.631 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.29 97.8 7.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.636 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.713 ' H ' ' H3 ' ' B' ' 1' ' ' MET . . . 165.53 -141.21 6.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 70' ' ' GLU . 49.4 tt0 -113.79 -41.43 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' OD2' ' OG1' ' A' ' 30' ' ' THR . 0.9 OUTLIER -63.66 -0.55 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 69' ' ' ASP . 16.2 tt0 -58.32 -47.54 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -62.29 -44.17 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.97 51.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.796 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 11.0 mp -81.87 -46.71 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 28.2 tt0 -68.83 -66.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -61.75 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -26.23 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.633 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.06 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.527 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.59 74.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.551 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -77.1 -44.69 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 54.8 t -72.34 -26.92 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.79 -14.3 34.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.83 97.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.24 159.88 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.562 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.713 ' H3 ' ' H ' ' A' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' ALA . 55.9 t -155.77 156.46 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.432 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 2.8 pt20 -173.5 126.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.696 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.23 141.09 32.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.559 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.44 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 39.9 tt0 -102.61 143.85 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 144.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -144.46 -5.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.75 159.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.49 164.44 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -141.03 165.42 27.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.08 -176.96 47.22 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.38 152.58 40.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 110.694 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.87 -163.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.27 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.487 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 7.7 mtm-85 -69.53 -49.17 22.89 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.023 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 37.7 Cg_exo -56.17 -49.39 15.45 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.383 2.055 . . . . 0.0 111.94 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.28 68.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.96 86.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.58 -26.93 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.83 -48.36 75.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.692 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' B' ' 27' ' ' ASN . 49.0 t -73.83 -32.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.66 -45.22 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.185 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.78 -36.84 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.025 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -86.3 1.57 50.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' B' ' 23' ' ' VAL . 16.2 t-20 -71.71 -26.03 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -89.38 -7.24 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.967 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -50.06 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.139 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.9 m -171.51 17.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.695 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 76.3 p -136.52 2.92 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.66 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.4 OUTLIER 70.8 127.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.402 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 95.3 t -111.5 128.53 67.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.873 0.368 . . . . 0.0 110.763 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.76 121.65 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.135 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.81 121.38 40.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -116.2 138.48 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.457 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -152.83 109.73 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 73.87 24.58 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.63 -18.38 52.91 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -95.12 150.17 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.57 165.77 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.761 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 43' ' ' ASN . 16.2 m -111.3 172.38 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' B' ' 42' ' ' VAL . 17.8 t-20 -36.65 -54.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 168.76 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' B' ' 29' ' ' PHE . 19.2 pttt -140.84 11.03 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.434 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -59.24 140.42 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -67.21 -51.11 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 14.9 mtt -61.53 -25.59 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.44 -35.55 90.27 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.79 -34.17 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -71.0 -31.61 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -61.75 -63.35 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.3 mt -98.03 63.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.88 161.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.625 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.37 -159.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.492 ' H ' ' HG1' ' B' ' 59' ' ' THR . 1.4 m -156.23 178.56 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.44 4.44 60.85 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' B' ' 56' ' ' SER . 56.7 p -89.66 169.93 10.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.28 161.92 32.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 5.5 p -142.23 119.06 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.47 113.22 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -91.22 156.24 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.194 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 mt -143.9 121.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.012 0.434 . . . . 0.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.84 116.38 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.536 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.32 97.82 7.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.732 ' H ' ' H3 ' ' A' ' 1' ' ' MET . . . 165.55 -141.19 6.84 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.253 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' B' ' 70' ' ' GLU . 49.3 tt0 -113.67 -41.52 3.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.616 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.483 ' OD2' ' OG1' ' B' ' 30' ' ' THR . 0.9 OUTLIER -63.6 -0.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.188 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.492 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' B' ' 69' ' ' ASP . 16.7 tt0 -58.24 -47.57 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.682 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.24 -44.08 97.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.89 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 mp -81.9 -46.58 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.07 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 28.1 tt0 -68.92 -66.25 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.2 -61.67 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.31 -26.26 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.595 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.09 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.55 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.51 74.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -77.15 -44.74 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 54.9 t -72.33 -26.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.65 -14.47 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.96 97.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.19 159.86 33.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.586 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.724 ' H3 ' ' H ' ' B' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 61.7 t -158.76 161.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.042 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.489 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 10.6 pt20 -158.6 144.68 16.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.136 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.07 160.61 39.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -71.65 165.63 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.03 179.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.72 147.59 46.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -86.37 143.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 10' ' ' LEU . 50.4 ttt-85 -146.92 -15.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.5 mt -45.83 175.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.37 157.53 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.6 164.12 30.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.77 168.7 33.67 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -40.51 136.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.31 -170.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.69 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 6.9 mpt_? -73.13 -53.96 4.62 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 40.2 Cg_endo -69.66 -24.24 30.33 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.004 1.803 . . . . 0.0 112.063 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.96 68.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.635 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.74 -49.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.799 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 4.3 mm? -63.49 -35.08 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.89 -48.39 16.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ASN . 53.8 t -75.1 -34.08 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.168 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -51.99 -39.0 58.72 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.708 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' A' ' 76' ' ' LYS . 4.7 mm-40 -69.87 -45.12 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.57 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -18.32 56.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.007 0.432 . . . . 0.0 110.074 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' VAL . 27.0 t-20 -56.36 -26.37 52.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.106 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.37 5.15 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CD2' ' CG2' ' A' ' 33' ' ' VAL . 3.1 t80 -81.6 156.86 24.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.56 ' N ' ' OD2' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -91.9 17.13 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.7 OUTLIER 68.24 134.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.553 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 54.5 t -124.9 128.7 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.165 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -145.3 121.75 11.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.35 154.71 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.134 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -148.43 152.62 37.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.729 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.9 ptmt -177.26 144.54 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 40' ' ' LYS . 44.0 t0 37.04 44.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.62 -22.41 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LYS . 46.5 mttp -68.93 149.38 48.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.5 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -146.38 143.89 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' ASN . 27.1 m -106.16 161.62 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 10.2 t-20 -38.07 -70.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.294 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 33' ' ' VAL . . . 164.67 -27.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.434 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.74 49.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -127.97 145.92 50.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.64 -51.12 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.602 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.482 ' O ' ' OG ' ' A' ' 52' ' ' SER . 8.2 tpt -50.48 -29.5 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.3 -54.36 27.35 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.4 -33.52 75.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 48' ' ' MET . 20.2 m -73.15 -50.75 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.58 -166.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.9 -158.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -166.18 163.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.474 ' OG ' ' N ' ' A' ' 57' ' ' THR . 2.7 t -123.99 175.3 7.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 56' ' ' SER . 24.4 m -76.78 127.14 32.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.88 -7.46 81.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 54.7 m -63.86 164.85 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' N ' ' CG2' ' A' ' 59' ' ' THR . 12.4 pt-20 -127.56 158.76 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.5 p -137.64 117.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.62 148.34 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -128.71 144.8 51.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.406 HG22 HE22 ' B' ' 3' ' ' GLN . 75.8 mt -130.48 116.84 37.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 0.0 110.813 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -149.11 114.67 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.737 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.86 142.16 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.026 0.441 . . . . 0.0 110.697 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.727 ' N ' ' H3 ' ' B' ' 1' ' ' MET . . . 143.01 -104.75 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' A' ' 70' ' ' GLU . 92.6 mt-10 -144.14 -44.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -73.87 26.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -72.61 21.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.542 ' H ' ' C ' ' A' ' 69' ' ' ASP . 20.2 tt0 -75.15 -55.4 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -58.73 -31.41 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.33 -54.67 40.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 110.76 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 10.0 mp -82.68 -42.91 17.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.38 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -77.14 -65.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -176.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.12 -52.57 33.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.691 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.81 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.491 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.712 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.69 -52.63 35.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.7 -35.04 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' GLU . 38.4 tt0 -59.3 -16.54 22.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' GLN . 50.2 tp10 37.8 79.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.01 -175.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.596 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.727 ' H3 ' ' N ' ' A' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 63.2 t -158.8 161.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.996 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.494 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 10.6 pt20 -158.9 144.48 16.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.099 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -141.97 160.49 40.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.37 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -71.39 165.56 23.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.615 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -150.04 179.16 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.82 147.53 46.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -86.38 143.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' B' ' 10' ' ' LEU . 50.0 ttt-85 -146.79 -15.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' B' ' 9' ' ' ARG . 11.6 mt -45.67 175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.54 157.51 18.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.56 164.25 29.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.75 168.78 33.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -40.6 136.14 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.45 -170.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.73 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 6.9 mpt_? -72.99 -54.03 4.72 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 40.8 Cg_endo -69.61 -24.17 30.65 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.023 1.815 . . . . 0.0 112.14 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.98 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -48.98 27.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.733 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' B' ' 21' ' ' LEU . 4.3 mm? -63.58 -34.95 78.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.93 -48.42 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 27' ' ' ASN . 53.9 t -75.1 -34.2 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.206 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -51.85 -38.99 58.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.736 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' B' ' 76' ' ' LYS . 4.8 mm-40 -69.83 -45.22 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.23 56.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' B' ' 23' ' ' VAL . 27.0 t-20 -56.33 -26.37 52.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.081 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.45 5.19 51.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.429 ' CD2' ' CG2' ' B' ' 33' ' ' VAL . 3.1 t80 -81.59 156.84 24.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' ' OD2' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -91.86 17.11 9.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.435 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.7 OUTLIER 68.27 134.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 55.9 t -125.06 128.7 73.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.128 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -145.2 121.75 11.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -102.2 154.83 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.112 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -148.46 152.67 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.578 ' O ' ' N ' ' B' ' 40' ' ' LYS . 1.9 ptmt -177.35 144.57 0.41 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 40' ' ' LYS . 44.2 t0 37.08 44.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.7 -22.33 0.71 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . 0.578 ' N ' ' O ' ' B' ' 37' ' ' LYS . 46.5 mttp -68.92 149.55 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -146.45 143.96 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.725 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' B' ' 43' ' ' ASN . 26.7 m -106.35 161.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 10.2 t-20 -37.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.351 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 33' ' ' VAL . . . 164.7 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.55 49.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.495 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -128.02 145.92 50.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.64 -51.07 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.487 ' O ' ' OG ' ' B' ' 52' ' ' SER . 8.1 tpt -50.54 -29.48 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.33 -54.32 27.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.43 -33.52 75.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 35.7 ttp -68.79 -20.84 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 48' ' ' MET . 20.1 m -73.17 -50.68 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.66 -166.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.92 -158.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' B' ' 56' ' ' SER . 13.6 p -166.13 163.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' B' ' 57' ' ' THR . 2.7 t -124.06 175.35 7.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' THR . . . . . 0.467 ' N ' ' OG ' ' B' ' 56' ' ' SER . 24.3 m -76.74 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.49 -7.11 82.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 52.6 m -64.03 164.89 9.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.51 ' N ' ' CG2' ' B' ' 59' ' ' THR . 12.5 pt-20 -127.53 158.7 36.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' B' ' 61' ' ' VAL . 7.2 p -137.61 117.46 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.57 148.33 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -128.74 144.75 51.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.064 0.459 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -149.19 114.61 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.787 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.71 142.08 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.79 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.724 ' H ' ' H3 ' ' A' ' 1' ' ' MET . . . 143.09 -104.8 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' B' ' 70' ' ' GLU . 92.8 mt-10 -144.13 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.441 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' B' ' 31' ' ' SER . 0.6 OUTLIER -73.86 26.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' B' ' 68' ' ' GLU . 0.2 OUTLIER -72.8 22.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.548 ' H ' ' C ' ' B' ' 69' ' ' ASP . 20.5 tt0 -75.21 -55.35 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.78 -31.41 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.62 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' B' ' 74' ' ' LEU . 9.9 mp -82.76 -42.96 17.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.192 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' B' ' 25' ' ' GLU . 0.2 OUTLIER -77.31 -65.26 0.98 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -176.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.03 -52.6 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.645 -177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.68 81.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.521 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.36 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -67.48 -52.63 36.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.661 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.76 -34.98 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' B' ' 83' ' ' GLU . 38.3 tt0 -59.33 -16.42 22.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' B' ' 82' ' ' GLN . 50.3 tp10 37.63 80.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -71.09 -175.7 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.573 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 68.9 t -150.18 164.58 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 12.8 pt20 -170.8 119.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 63' ' ' LEU . 52.9 mt-30 -142.27 139.03 31.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -84.62 154.15 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.9 m -150.2 177.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -116.24 147.55 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.37 131.48 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -140.02 -87.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt 43.16 -116.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.8 163.24 34.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.16 167.54 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 140.2 145.56 4.68 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -35.0 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.909 0.385 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.56 -165.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . -83.8 -25.86 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 mtt-85 -65.96 -54.96 24.22 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 38.1 Cg_endo -69.53 -41.98 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.072 1.848 . . . . 0.0 112.08 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.25 75.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.803 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.44 -34.51 78.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.62 -45.18 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 54.2 t -70.1 -31.8 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -69.18 -45.64 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.679 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 29' ' ' PHE . . . -73.63 -26.13 60.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -54.85 -23.96 20.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 56.2 mtt180 -94.81 -0.55 54.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.881 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 26' ' ' ALA . 62.2 m-85 -149.39 132.96 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.37 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.4 t -69.19 -33.79 73.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.72 87.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' THR . 22.2 m-20 -45.65 132.01 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 44' ' ' ALA . 2.9 t -106.02 128.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.12 150.24 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.514 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -139.95 130.09 25.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.209 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -129.41 144.33 51.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.502 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.17 120.51 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' ASP . 11.4 t0 66.96 20.49 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.62 -22.4 21.12 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -75.15 103.59 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -95.48 143.29 26.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.12 -179.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.447 ' C ' HD21 ' A' ' 43' ' ' ASN . 0.2 OUTLIER -47.84 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 167.4 -20.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 10.2 pttp -177.96 -8.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.2 m -55.5 127.05 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -54.68 -35.18 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 mtt -56.0 -42.85 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.74 61.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.39 -49.62 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.591 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -48.93 -28.73 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 m -75.66 -52.58 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.528 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -91.43 -163.28 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.01 178.65 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.62 179.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.72 151.15 30.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -50.91 125.39 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.44 -6.74 53.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.507 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 29.5 m -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 59' ' ' THR . 32.4 mt-10 -131.72 175.13 9.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.94 139.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -83.98 99.77 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 5.0 tt -88.54 117.43 27.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.44 116.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.888 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -120.41 116.48 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -107.33 104.31 13.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.7 171.05 39.24 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.223 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -80.74 -44.56 18.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.397 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.586 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.6 m-20 -92.62 29.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.318 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.89 8.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.508 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 69' ' ' ASP . 25.4 tt0 -50.65 -33.14 21.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 2.3 pp20? -51.32 -38.53 53.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.021 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -64.85 -46.22 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.59 -44.07 17.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.964 0.411 . . . . 0.0 111.398 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.32 -66.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.56 -68.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.1 mp -50.21 -51.65 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.58 -30.69 63.47 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.33 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.56 32.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.346 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.3 -44.3 88.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.244 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.34 -19.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -66.55 -4.24 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' VAL . 69.8 tt0 54.08 102.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -45.88 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLU . 88.9 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.53 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 68.7 t -150.19 164.53 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.53 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 12.7 pt20 -170.8 119.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.608 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 63' ' ' LEU . 52.8 mt-30 -142.27 138.92 31.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.495 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -84.56 154.2 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 m -150.19 178.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.691 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.3 147.54 41.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.38 131.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -139.9 -87.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt 43.1 -116.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.88 163.17 34.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.11 167.58 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.712 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 14' ' ' LEU . . . 140.15 145.73 4.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 13' ' ' GLY . 0.3 OUTLIER -35.02 148.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.593 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.52 -165.17 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' B' ' 20' ' ' ALA . . . -83.74 -25.86 30.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 8.7 mtt-85 -65.96 -54.89 24.71 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_endo -69.56 -41.95 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.086 1.858 . . . . 0.0 112.157 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -33.4 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.819 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' B' ' 16' ' ' ALA . . . -66.28 -39.72 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.775 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.39 -34.55 78.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.61 -45.15 13.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 54.5 t -70.16 -31.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.49 -24.86 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.59 ' N ' ' OE1' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -69.25 -45.7 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 29' ' ' PHE . . . -73.59 -26.1 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -54.94 -23.83 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.031 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' B' ' 29' ' ' PHE . 56.0 mtt180 -95.02 -0.38 53.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.856 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' B' ' 26' ' ' ALA . 61.9 m-85 -149.41 132.93 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 111.42 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.591 ' O ' ' N ' ' B' ' 32' ' ' ASP . 1.4 t -69.17 -33.82 73.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.74 87.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' THR . 22.3 m-20 -45.8 132.18 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' B' ' 44' ' ' ALA . 2.9 t -106.15 128.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.18 150.16 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.503 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -139.77 130.16 25.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -129.63 144.33 51.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.47 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.16 120.65 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 38' ' ' ASP . 11.2 t0 66.81 20.5 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.73 -22.46 21.23 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -75.12 103.48 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -95.47 143.49 26.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.21 -179.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.438 ' C ' HD21 ' B' ' 43' ' ' ASN . 0.2 OUTLIER -47.78 -62.54 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.584 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 167.57 -20.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 10.2 pttp -178.02 -7.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.0 m -55.56 126.9 27.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.48 -35.22 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 42.2 mtt -56.08 -42.7 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.77 61.49 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -49.08 -28.72 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -75.53 -52.67 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 mt -91.43 -163.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.73 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.64 179.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.68 151.36 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.8 p -51.09 125.46 13.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.28 -6.64 53.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 30.5 m -82.88 163.3 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 110.516 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' B' ' 59' ' ' THR . 32.2 mt-10 -131.75 175.05 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.79 139.61 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -84.16 100.0 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' B' ' 63' ' ' LEU . 5.0 tt -88.7 117.21 27.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mt -127.23 116.81 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -120.46 116.5 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.798 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -107.33 104.42 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.392 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.45 170.87 38.87 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.56 -44.52 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.559 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.5 m-20 -92.58 29.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.346 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.84 8.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.559 ' H ' ' C ' ' B' ' 69' ' ' ASP . 25.3 tt0 -50.66 -33.14 21.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.621 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 73' ' ' ALA . 2.3 pp20? -51.21 -38.61 53.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.027 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' B' ' 72' ' ' GLU . . . -64.7 -46.29 82.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.723 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.59 -43.94 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.974 0.416 . . . . 0.0 111.52 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.36 -66.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.57 -68.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.2 mp -50.18 -51.69 41.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.65 -30.85 63.79 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.27 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.07 -45.69 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.398 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.22 -44.25 88.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.299 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.38 -18.91 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -66.59 -4.26 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 85' ' ' VAL . 69.7 tt0 54.08 102.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -46.05 91.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 83' ' ' GLU . 89.9 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.717 ' N ' ' H ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.573 ' N ' ' OE1' ' B' ' 70' ' ' GLU . 21.3 t -150.28 129.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.437 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.595 HE21 ' NE2' ' B' ' 66' ' ' GLN . 8.8 pt20 -140.38 146.38 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.26 159.08 42.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.453 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.28 162.25 29.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.29 179.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 53.6 mt-10 -122.51 153.96 38.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -95.87 111.81 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.23 -1.28 16.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.603 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -51.07 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HZ1' ' CB ' ' A' ' 11' ' ' LYS . 7.2 mtmp? -90.48 137.9 31.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.57 130.1 36.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.57 -177.4 40.07 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.62 147.36 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -84.54 -167.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.507 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.24 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 mtt-85 -76.02 -50.0 3.19 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.912 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.7 Cg_exo -56.55 -41.35 76.89 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.277 1.985 . . . . 0.0 111.878 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.95 84.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.36 86.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.22 -26.72 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.65 -48.15 82.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . 35.6 t -71.16 -32.7 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.484 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -51.95 -49.26 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.0 109.934 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.41 -36.76 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.92 -18.67 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.344 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' VAL . 46.5 t-20 -50.62 -24.13 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 110.076 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -98.37 21.79 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.617 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CG ' ' NZ ' ' A' ' 45' ' ' LYS . 18.7 p90 -36.86 125.75 0.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.227 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 p -131.48 3.2 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.653 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 66' ' ' GLN . 1.2 t -153.5 -1.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.323 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER 76.22 131.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 14.6 t -113.6 128.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.455 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -136.79 122.32 19.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.28 137.04 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.431 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.65 143.93 50.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.18 111.98 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 57.25 25.92 11.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.73 -19.0 56.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.14 112.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.29 153.59 23.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.576 ' C ' ' H ' ' A' ' 44' ' ' ALA . 1.5 m -117.23 170.58 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.332 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 38.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.576 ' H ' ' C ' ' A' ' 42' ' ' VAL . . . 59.44 -94.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.681 ' NZ ' ' CG ' ' A' ' 29' ' ' PHE . 14.2 pttt -110.9 75.25 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 3.5 p -134.28 127.57 32.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.58 -42.17 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.2 mtm -70.28 -40.55 74.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . -53.15 -57.72 14.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -46.89 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.3 ttt -51.95 -43.75 63.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -58.3 -36.12 72.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.39 133.71 48.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.78 110.07 15.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.94 164.16 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -120.75 169.87 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 p -59.15 129.3 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.87 -21.83 37.13 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 60' ' ' GLU . 39.8 m -65.09 169.61 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 59' ' ' THR . 12.5 pt-20 -136.25 167.39 21.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.69 137.77 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 m -87.73 100.53 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.78 145.56 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.0 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.8 mt -131.94 116.8 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 111.084 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -139.03 115.01 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.842 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.616 ' NE2' HE21 ' B' ' 3' ' ' GLN . 32.1 mt-30 -136.09 130.95 34.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.672 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.73 ' H ' ' N ' ' B' ' 1' ' ' MET . . . 155.36 166.11 15.12 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 26.2 tp10 -72.68 69.74 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 110.818 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 71' ' ' GLN . 2.9 m-20 175.24 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.655 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 2' ' ' VAL . 7.4 pt-20 29.52 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.143 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 69' ' ' ASP . 31.1 tt0 -75.0 -52.46 11.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.659 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 19.9 mp0 -63.21 -33.58 75.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.64 44.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.646 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.1 mt -82.95 -43.16 16.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 29.1 tt0 -69.44 -66.49 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.34 -64.34 1.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.36 -52.23 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.754 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.93 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.561 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.97 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -74.34 -34.4 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 55.9 t -68.62 -15.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 84' ' ' GLU . 21.6 mt-30 -119.64 69.27 0.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 82' ' ' GLN . 48.4 mt-10 -36.37 94.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.564 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' GLN . 15.9 tp10 -174.41 77.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.73 ' N ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.578 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 21.3 t -150.18 129.39 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.616 HE21 ' NE2' ' A' ' 66' ' ' GLN . 8.9 pt20 -140.05 146.49 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.078 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.29 159.19 42.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -71.4 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.51 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.24 179.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.545 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.517 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 53.5 mt-10 -122.5 154.11 38.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -95.99 111.75 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.27 -1.28 16.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.15 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HZ1' ' CB ' ' B' ' 11' ' ' LYS . 7.2 mtmp? -90.47 137.8 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.435 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.49 130.24 36.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.79 -177.52 40.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.53 147.34 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.588 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -84.54 -167.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -19.19 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 5.3 mtt-85 -76.11 -50.07 3.1 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.945 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.4 Cg_exo -56.41 -41.58 74.71 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.388 2.059 . . . . 0.0 111.835 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.21 85.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.51 87.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.08 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.57 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 27' ' ' ASN . 34.7 t -71.17 -32.68 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -51.89 -49.36 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 109.932 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.3 -36.72 83.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.909 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.02 -18.62 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.305 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' B' ' 23' ' ' VAL . 46.4 t-20 -50.63 -24.03 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 110.125 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -98.47 21.72 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.683 ' CG ' ' NZ ' ' B' ' 45' ' ' LYS . 18.5 p90 -36.86 125.73 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 p -131.48 3.23 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 66' ' ' GLN . 1.2 t -153.51 -1.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.316 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' B' ' 31' ' ' SER . 1.0 OUTLIER 76.21 131.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 14.3 t -113.62 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -136.77 122.19 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.386 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -100.07 137.13 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.73 143.95 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.19 111.97 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 57.3 25.79 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.86 -18.93 56.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.23 112.33 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.25 153.44 23.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.571 ' C ' ' H ' ' B' ' 44' ' ' ALA . 1.5 m -117.23 170.52 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.8 38.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.571 ' H ' ' C ' ' B' ' 42' ' ' VAL . . . 59.51 -94.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.683 ' NZ ' ' CG ' ' B' ' 29' ' ' PHE . 14.2 pttt -110.93 75.35 0.92 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 49' ' ' GLY . 3.5 p -134.36 127.47 31.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.55 -42.13 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 41.4 mtm -70.49 -40.36 73.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.664 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' B' ' 46' ' ' SER . . . -53.23 -57.64 14.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.68 -46.85 87.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -52.06 -43.6 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 m -58.33 -36.06 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.53 133.68 47.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.71 109.99 15.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.88 164.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.9 p -120.83 169.79 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -59.02 129.21 41.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 -21.83 37.08 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' B' ' 60' ' ' GLU . 39.1 m -65.11 169.67 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.447 ' N ' ' CG2' ' B' ' 59' ' ' THR . 12.5 pt-20 -136.28 167.4 21.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.65 137.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -87.73 100.52 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.76 145.48 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.049 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 28.8 mt -131.81 116.76 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.439 . . . . 0.0 111.134 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -138.95 114.9 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.849 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.595 ' NE2' HE21 ' A' ' 3' ' ' GLN . 32.1 mt-30 -135.96 130.98 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.717 ' H ' ' N ' ' A' ' 1' ' ' MET . . . 155.32 165.98 14.92 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' B' ' 69' ' ' ASP . 26.2 tp10 -72.59 69.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 71' ' ' GLN . 2.9 m-20 175.17 -71.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.672 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' A' ' 2' ' ' VAL . 7.5 pt-20 29.56 33.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.12 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' B' ' 69' ' ' ASP . 31.0 tt0 -75.1 -52.46 10.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.538 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.0 mp0 -63.19 -33.54 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.65 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 34.7 mt -82.88 -43.23 16.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.369 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 29.0 tt0 -69.43 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.26 -64.36 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.41 -52.24 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.772 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.05 65.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.543 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.99 -41.08 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -74.15 -34.6 63.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 55.9 t -68.37 -15.55 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.484 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' B' ' 84' ' ' GLU . 21.6 mt-30 -119.48 69.4 0.83 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 82' ' ' GLN . 48.9 mt-10 -36.41 94.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 82' ' ' GLN . 16.0 tp10 -174.41 77.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.624 ' CB ' ' H ' ' B' ' 67' ' ' GLY . 6.3 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 3' ' ' GLN . 59.1 t -158.26 161.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.46 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.508 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 3.6 pt20 -166.87 143.58 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -142.17 167.48 22.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -71.12 157.08 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.17 171.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.6 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -118.74 140.19 50.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 t -72.74 142.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -152.8 -3.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 10.2 mp -49.81 164.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.77 160.83 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -143.81 148.17 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.72 -166.24 36.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.77 154.6 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.8 -36.17 14.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -63.01 -49.34 81.91 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.027 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.9 Cg_exo -56.21 -42.49 65.65 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.101 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.25 82.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.48 99.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -46.04 -43.02 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.12 -34.21 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.05 -26.51 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -45.5 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.13 -26.37 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -49.86 -29.75 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.68 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -93.06 -11.52 32.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.287 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 26' ' ' ALA . 90.4 m-85 -138.68 114.52 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.575 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 32' ' ' ASP . 24.5 p -90.67 37.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 32' ' ' ASP . 20.5 p -75.19 14.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 31' ' ' SER . 1.5 m-20 49.5 103.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 3.2 t -109.67 128.47 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.5 m-85 -132.94 121.81 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.637 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.93 121.55 37.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.194 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' LYS . 19.1 tt0 -116.7 158.6 23.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.895 0.378 . . . . 0.0 110.787 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 pttp -178.89 131.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.19 23.93 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.81 -23.92 14.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.32 151.02 21.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -145.99 -179.49 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.75 174.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.514 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 56.8 t30 -43.16 -65.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 43' ' ' ASN . . . 157.98 -28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -179.79 54.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.85 142.65 49.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.79 -50.24 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.5 -23.37 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.09 -54.91 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.73 -28.11 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.56 -16.73 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -50.08 -61.25 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -161.18 -169.13 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.58 166.49 24.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.522 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.2 m -96.36 -149.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.0 m -144.31 149.28 35.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -46.93 124.99 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.89 -29.92 10.52 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.1 m -62.42 137.05 58.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.447 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.92 160.08 15.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.72 136.98 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.9 m -88.01 115.69 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.33 144.86 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.36 116.82 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -154.23 114.71 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.83 136.01 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.47 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.596 ' H ' ' CB ' ' B' ' 1' ' ' MET . . . 142.97 -168.66 25.94 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.7 59.83 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.79 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.84 2.37 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' A' ' 69' ' ' ASP . 11.0 tt0 -51.81 -50.47 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.29 -47.15 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.487 -179.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -51.1 -54.73 22.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.12 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -82.49 -48.27 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.805 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 71' ' ' GLN . 18.6 tt0 -69.21 -66.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -79.45 -64.96 1.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.0 tp -49.75 -47.52 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.32 -34.15 66.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.203 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.63 -32.84 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -77.23 -48.53 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.14 -16.81 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 16.2 mt-30 -116.61 62.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.42 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLN . 29.5 mm-40 -36.75 96.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' GLN . 22.5 mt-10 -56.4 -179.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.575 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.596 ' CB ' ' H ' ' A' ' 67' ' ' GLY . 6.2 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' B' ' 3' ' ' GLN . 58.5 t -158.16 162.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.512 ' N ' ' CG1' ' B' ' 2' ' ' VAL . 3.6 pt20 -167.55 143.4 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -142.15 167.36 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.06 157.07 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.12 171.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.89 140.14 50.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.66 142.86 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -153.02 -3.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -49.83 164.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.78 160.82 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -143.86 148.08 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.86 -166.34 37.04 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.68 154.66 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.25 14.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.9 OUTLIER -62.98 -49.31 82.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.021 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.6 Cg_exo -56.19 -42.63 64.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.131 . . . . 0.0 112.028 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.1 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.56 98.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.72 -39.25 93.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -45.9 -43.01 13.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.561 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.14 -34.26 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -59.94 -26.7 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.63 -45.43 52.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -77.16 -26.4 53.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -49.87 -29.82 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.643 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -93.02 -11.49 32.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.351 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' B' ' 26' ' ' ALA . 90.5 m-85 -138.6 114.47 9.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.459 ' C ' ' H ' ' B' ' 32' ' ' ASP . 24.1 p -90.69 37.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 32' ' ' ASP . 20.6 p -75.25 14.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 31' ' ' SER . 1.5 m-20 49.42 103.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 3.2 t -109.67 128.58 65.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.196 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.5 m-85 -133.01 121.75 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.659 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -96.02 121.46 37.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.175 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 37' ' ' LYS . 19.2 tt0 -116.6 158.51 23.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.869 0.366 . . . . 0.0 110.784 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 16.4 pttp -178.81 131.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 57.13 23.87 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 -23.99 14.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.28 151.05 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -146.05 -179.44 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.743 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.77 174.01 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 56.9 t30 -43.09 -65.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' B' ' 43' ' ' ASN . . . 157.96 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -179.72 54.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.372 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.86 142.66 49.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.75 -50.24 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.47 -23.46 25.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 -54.94 3.94 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.69 -28.21 68.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.48 -16.89 10.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -50.04 -61.37 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.581 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' B' ' 53' ' ' LEU . 0.4 OUTLIER -161.1 -169.18 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.48 166.56 24.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 15.1 m -96.44 -149.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.2 m -144.25 149.25 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -46.95 125.19 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.92 -30.16 10.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 29.6 m -62.44 137.04 58.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.525 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.91 160.01 15.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.65 137.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.1 m -88.14 115.78 25.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -89.35 144.67 25.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.173 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.405 HG23 HE22 ' A' ' 3' ' ' GLN . 76.7 mt -135.21 116.92 20.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.816 0.341 . . . . 0.0 110.81 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -154.34 114.62 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.307 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.79 136.32 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.624 ' H ' ' CB ' ' A' ' 1' ' ' MET . . . 142.76 -168.41 25.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.06 59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.734 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.624 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.76 2.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.581 ' H ' ' C ' ' B' ' 69' ' ' ASP . 11.0 tt0 -51.72 -50.49 60.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.31 -47.19 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.397 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' B' ' 72' ' ' GLU . . . -51.14 -54.6 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.108 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 4.8 tp -82.59 -48.21 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 0.0 111.788 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 71' ' ' GLN . 18.8 tt0 -69.26 -66.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -79.56 -64.84 1.09 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' B' ' 72' ' ' GLU . 2.0 tp -49.79 -47.44 51.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.18 66.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.245 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.64 -32.75 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -77.14 -48.72 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.493 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.1 -16.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.436 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 84' ' ' GLU . 16.2 mt-30 -116.48 63.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 82' ' ' GLN . 29.4 mm-40 -36.87 96.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' B' ' 82' ' ' GLN . 22.3 mt-10 -56.46 -179.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.64 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 65' ' ' ALA . 19.9 m -145.34 174.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.271 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.17 119.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -142.52 142.01 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.79 160.27 29.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.29 179.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -123.18 159.29 28.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.71 146.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.47 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 10' ' ' LEU . 8.1 ttt85 -151.25 -4.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.7 mp -40.98 166.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.618 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.87 163.56 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -147.83 134.55 19.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.44 43.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.54 122.95 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' LEU . 75.9 mt-30 -51.82 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.98 -13.33 33.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.23 -49.76 3.06 Favored Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.006 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.0 Cg_exo -56.46 -44.03 49.83 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.413 2.075 . . . . 0.0 112.012 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.9 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.67 81.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.9 mp -77.09 -29.37 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -51.79 -46.59 64.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 42.5 t -75.25 -33.4 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.92 -49.48 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.669 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.81 -38.55 85.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -74.61 -23.08 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -49.79 -27.11 4.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.152 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -93.49 19.2 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -94.89 -162.28 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.471 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m -171.13 -2.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.002 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 15.3 p -95.43 -115.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 31' ' ' SER . 17.7 m-20 -160.85 135.66 7.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.142 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 58.5 t -106.02 137.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -145.78 121.65 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.7 118.06 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.646 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -119.37 125.48 49.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.7 142.17 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 40' ' ' LYS . 3.9 m-20 51.97 38.73 24.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.25 -12.29 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 38' ' ' ASP . 55.2 mttm -81.37 156.18 25.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.821 0.344 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -148.3 145.84 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.682 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' ASN . 12.5 m -116.3 159.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.2 m-20 -36.53 -45.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.342 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 165.53 -102.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 34.0 pttt -104.29 12.71 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.7 m -53.89 138.0 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.5 -54.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.2 mtm -65.21 -21.04 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.46 90.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.84 -53.82 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.344 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.4 -21.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.54 -48.0 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -86.29 -150.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 161.25 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.84 -172.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -149.51 177.11 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.553 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.521 ' N ' ' OG ' ' A' ' 56' ' ' SER . 5.5 m -72.73 127.05 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.24 -23.3 36.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 p -55.74 174.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -146.76 166.73 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.22 141.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.63 100.74 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.65 120.8 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.778 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.74 126.43 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.24 118.13 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.485 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.55 21.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.374 . . . . 0.0 110.665 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.52 -162.81 30.48 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 70' ' ' GLU . 19.9 tt0 -95.67 -47.88 6.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 2.5 m-20 -63.7 4.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.384 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.5 pp20? -59.27 0.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 42.5 tt0 -54.67 -54.64 39.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.751 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -51.64 -25.74 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.47 -54.84 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.1 mt -82.68 -35.61 26.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.309 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.79 -66.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.07 -62.37 1.58 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.19 -35.5 26.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.41 -50.31 47.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.654 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.27 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -72.48 -54.04 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.641 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.2 t -60.16 -14.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -99.52 -0.12 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 42.55 38.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.06 143.82 25.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.533 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' ALA . 19.8 m -145.28 174.5 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.299 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.15 119.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -142.47 142.01 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.52 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.82 160.17 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.23 179.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -123.08 159.26 28.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.64 146.14 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' B' ' 10' ' ' LEU . 8.0 ttt85 -151.22 -4.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.508 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.7 mp -40.73 166.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.9 163.59 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -147.8 134.59 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.34 43.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.666 ' H ' HD23 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -86.57 122.94 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 110.587 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LEU . 75.8 mt-30 -51.81 -168.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.01 -13.41 33.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -76.24 -49.8 3.04 Favored Pre-proline 0 CA--C 1.531 0.24 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.964 -179.354 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.4 Cg_exo -56.48 -44.03 49.77 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.445 2.097 . . . . 0.0 111.989 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.93 69.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 21' ' ' LEU . 10.8 mp -77.06 -29.39 55.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.79 -46.6 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 42.5 t -75.26 -33.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.999 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.96 -49.51 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.83 -38.49 85.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -74.57 -23.18 58.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 0.0 110.392 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -49.72 -27.26 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -93.39 19.08 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -94.83 -162.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.7 m -171.13 -2.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.025 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' B' ' 32' ' ' ASP . 14.7 p -95.43 -115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' SER . 17.8 m-20 -160.82 135.7 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 59.1 t -105.99 137.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 110.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.76 121.64 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.59 118.06 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.38 125.57 49.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.74 142.24 21.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 40' ' ' LYS . 3.9 m-20 51.89 38.8 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.14 -12.28 1.22 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' B' ' 38' ' ' ASP . 55.3 mttm -81.39 156.14 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -148.22 145.91 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' B' ' 43' ' ' ASN . 12.2 m -116.38 159.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.1 m-20 -36.68 -45.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.179 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 165.6 -102.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 34.2 pttt -104.24 12.68 33.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 75.8 m -53.81 137.99 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.42 -54.47 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 27.3 mtm -65.15 -21.14 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.13 -47.53 90.63 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.79 -53.84 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.463 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.41 -21.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.55 -47.88 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.588 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.19 -150.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.498 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.63 161.25 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.81 -172.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 57' ' ' THR . 1.0 OUTLIER -149.56 177.14 10.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.511 ' N ' ' OG ' ' B' ' 56' ' ' SER . 5.4 m -72.62 127.08 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.1 -23.3 36.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -55.63 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.631 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.88 166.59 26.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.14 141.35 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.338 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.65 100.68 12.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.62 120.85 32.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.77 126.34 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.118 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.17 118.22 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.471 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.47 21.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.698 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.49 -162.77 30.45 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.263 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' B' ' 70' ' ' GLU . 20.0 tt0 -95.67 -47.86 6.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 2.5 m-20 -63.87 4.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -59.35 0.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.542 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 69' ' ' ASP . 42.4 tt0 -54.77 -54.57 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.73 -25.73 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.44 -54.88 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.963 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 15.3 mt -82.62 -35.72 26.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.908 0.385 . . . . 0.0 111.255 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.83 -66.22 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.08 -62.46 1.56 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.16 -35.49 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.729 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.31 -50.3 47.9 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.758 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.21 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.677 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.59 -54.0 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.44 HG12 ' O ' ' B' ' 81' ' ' VAL . 53.1 t -60.25 -14.67 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.57 -0.05 41.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' O ' ' B' ' 67' ' ' GLY . 41.0 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.607 ' H ' ' CD ' ' B' ' 70' ' ' GLU . 9.5 t -148.48 129.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' B' ' 65' ' ' ALA . 18.3 pt20 -144.43 143.66 31.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.667 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -142.39 142.45 32.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' A' ' 6' ' ' VAL . 13.2 ttmm -66.39 162.44 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.326 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 2.7 m -147.46 179.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.701 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -125.37 140.62 52.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.45 134.22 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' B' ' 82' ' ' GLN . 15.6 ttp180 -145.24 8.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.08 -178.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.37 168.01 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -150.4 158.82 44.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.498 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 176.94 158.3 19.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.53 141.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -67.87 -162.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -41.67 11.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.2 mtt-85 -56.04 -49.45 93.01 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.907 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.7 Cg_exo -55.99 -38.03 95.29 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.379 2.053 . . . . 0.0 111.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.01 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.13 -33.78 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.99 -28.87 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.59 -41.6 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 27' ' ' ASN . 54.7 t -74.22 -34.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -52.41 -49.02 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.9 -36.89 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -18.72 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 23' ' ' VAL . 56.3 t30 -53.07 -21.92 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' PHE . 87.5 mtt180 -96.14 16.05 19.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.804 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD2' ' N ' ' A' ' 30' ' ' THR . 29.0 p90 -34.06 -63.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.129 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 1.8 m 41.73 17.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.234 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 29' ' ' PHE . 87.7 p -152.29 -7.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 76.07 114.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 23.3 t -112.73 128.65 69.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.33 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.3 m-85 -133.49 121.79 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.727 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.21 117.89 30.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.129 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.59 149.41 34.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.887 0.375 . . . . 0.0 110.76 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 67.3 tttt -164.21 101.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 8.6 t0 75.61 35.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.86 -21.5 7.72 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.12 143.07 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.34 167.6 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ASN . 2.0 m -103.73 175.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.427 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.688 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 54.1 t-20 -40.49 -65.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 158.98 -23.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.522 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.33 63.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.79 143.29 48.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.451 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.75 -57.22 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.72 -24.51 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.89 88.83 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.01 -36.51 72.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mmt -54.01 -45.3 71.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 p -62.78 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 tt -91.56 107.92 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 53' ' ' LEU . . . -100.48 148.32 24.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.464 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.18 -163.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' HG21 ' A' ' 59' ' ' THR . 2.8 m -154.14 175.88 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.28 134.72 52.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.36 -8.82 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.413 HG21 ' H ' ' A' ' 56' ' ' SER . 77.0 p -75.85 172.66 12.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -142.81 158.78 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.8 p -141.63 122.9 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.531 ' OG1' ' NZ ' ' B' ' 5' ' ' LYS . 60.7 m -76.27 104.6 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.24 142.77 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.75 116.66 46.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -145.86 114.94 7.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.082 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -126.84 119.26 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.523 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 159.37 -156.07 27.18 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -101.62 -51.94 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.9 m-20 -73.02 3.34 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.6 ' CD ' ' H ' ' B' ' 2' ' ' VAL . 15.1 pt-20 -60.04 1.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.401 . . . . 0.0 110.362 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 69' ' ' ASP . 19.5 tt0 -50.68 -48.66 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.479 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -51.64 -25.78 7.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.5 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.6 mt -82.52 -36.11 26.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.306 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.94 -66.16 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.05 -63.16 1.4 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.0 -34.71 22.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.27 -41.67 76.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.61 -31.66 53.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.89 -46.65 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.32 -25.84 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' B' ' 9' ' ' ARG . 38.2 mm-40 -95.72 25.29 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 59.83 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.91 144.89 47.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 41.1 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.6 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 9.4 t -148.51 129.61 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.458 ' HB3' ' H ' ' A' ' 65' ' ' ALA . 18.3 pt20 -144.37 143.63 31.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.709 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -142.29 142.4 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.635 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.531 ' NZ ' ' OG1' ' A' ' 62' ' ' THR . 13.3 ttmm -66.29 162.51 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.52 ' N ' ' CG ' ' B' ' 5' ' ' LYS . 2.7 m -147.48 179.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -125.33 140.64 52.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.44 134.26 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 82' ' ' GLN . 15.8 ttp180 -145.33 8.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.09 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -93.28 168.19 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.588 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.1 p -150.62 158.63 44.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 177.04 158.4 20.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.641 ' H ' HD12 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -40.6 141.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.04 -162.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 -41.69 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.2 mtt-85 -55.97 -49.52 92.54 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.942 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_exo -55.9 -37.97 95.2 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.39 2.06 . . . . 0.0 112.013 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.2 -35.93 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.14 -33.79 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.07 -29.02 57.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.466 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.4 -41.65 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' B' ' 27' ' ' ASN . 54.2 t -74.22 -34.78 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.48 -49.13 65.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -71.69 -36.9 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.65 58.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' B' ' 23' ' ' VAL . 56.3 t30 -53.13 -21.97 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 29' ' ' PHE . 87.5 mtt180 -96.04 15.96 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.84 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' B' ' 30' ' ' THR . 29.1 p90 -33.92 -63.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.653 ' N ' ' CD2' ' B' ' 29' ' ' PHE . 1.7 m 41.83 17.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.231 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.588 ' N ' ' O ' ' B' ' 29' ' ' PHE . 87.9 p -152.29 -7.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.035 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.3 OUTLIER 75.99 114.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.671 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.744 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 23.3 t -112.79 128.69 69.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.293 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.6 m-85 -133.5 121.82 22.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.19 117.81 30.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.58 149.38 34.58 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.907 0.384 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 67.1 tttt -164.18 101.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' B' ' 37' ' ' LYS . 8.7 t0 75.72 35.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.98 -21.53 7.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -92.07 143.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.4 167.54 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.76 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.708 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 54.2 t-20 -40.41 -65.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 158.8 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.31 63.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 143.26 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.445 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -59.71 -57.18 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.58 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.96 88.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.98 -36.53 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -54.01 -45.2 71.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.5 p -62.96 -39.92 96.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.593 ' C ' HD23 ' B' ' 53' ' ' LEU . 3.1 tt -91.52 107.93 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ALA . . . . . 0.518 ' N ' HD23 ' B' ' 53' ' ' LEU . . . -100.42 148.29 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.21 -163.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.412 ' H ' HG21 ' B' ' 59' ' ' THR . 2.8 m -154.1 175.84 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.19 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.15 -8.8 72.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.412 HG21 ' H ' ' B' ' 56' ' ' SER . 76.7 p -76.01 172.65 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -142.74 158.85 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.535 ' O ' HG13 ' B' ' 61' ' ' VAL . 4.7 p -141.67 122.88 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' THR . . . . . 0.507 ' OG1' ' NZ ' ' A' ' 5' ' ' LYS . 61.0 m -76.29 104.67 6.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.22 142.73 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.66 116.65 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.348 . . . . 0.0 110.61 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -145.89 114.86 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -126.81 119.29 26.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 159.47 -156.15 27.28 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -101.67 -51.82 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.9 m-20 -73.07 3.44 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 2' ' ' VAL . 15.1 pt-20 -60.3 1.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' B' ' 69' ' ' ASP . 19.5 tt0 -50.85 -48.58 59.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -51.75 -25.68 8.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.54 -54.62 21.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.615 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.7 mt -82.47 -36.02 26.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.824 0.345 . . . . 0.0 111.248 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -70.03 -66.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -49.94 -34.69 21.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.23 -41.83 76.48 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.477 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.49 -31.52 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.1 -46.44 61.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.47 -25.84 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.506 ' OE1' ' NH2' ' A' ' 9' ' ' ARG . 38.1 mm-40 -95.68 25.36 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.587 ' N ' ' O ' ' B' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.701 HG12 ' N ' ' A' ' 3' ' ' GLN . 42.9 t -148.71 172.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.701 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.6 pt20 179.69 132.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.27 127.11 18.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.06 150.99 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.03 166.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -96.67 150.79 20.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' C ' ' B' ' 60' ' ' GLU . 51.2 t -80.98 145.5 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' LEU . 31.7 ttm180 -151.69 -79.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ARG . 21.4 mt 36.2 -133.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' HD23 ' B' ' 14' ' ' LEU . 88.1 mttt -136.8 146.03 45.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 p -123.74 165.25 17.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 163.27 165.8 21.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 11' ' ' LYS . 59.2 mt -42.31 153.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -87.8 -164.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.94 -21.03 21.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.05 -49.46 3.29 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.963 -179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.4 Cg_exo -56.23 -51.03 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.433 2.089 . . . . 0.0 111.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 -47.7 65.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.01 -26.87 62.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -56.17 -45.93 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . 42.7 t -75.22 -31.93 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -51.81 -46.12 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.958 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.67 -37.1 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.963 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -78.38 -19.94 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' VAL . 3.1 t30 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.0 19.87 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.675 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ALA . 38.9 p90 -39.75 134.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 t -148.77 8.44 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 66' ' ' GLN . 3.3 t -156.72 8.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.54 121.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.691 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.0 t -111.51 128.88 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.22 122.67 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.93 131.45 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -137.05 136.36 38.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -171.22 134.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 52.97 30.45 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.87 -12.74 34.31 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -71.31 148.12 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 43.3 tttp -145.66 163.15 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 4.4 m -145.2 175.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 14.2 t-20 -45.6 -65.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 161.29 -21.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.93 61.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -126.0 140.11 52.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.72 -41.16 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.31 -25.98 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.63 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.72 -53.31 28.38 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.95 -43.63 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.624 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.34 -49.65 76.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.3 m -49.81 -30.24 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.95 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.08 135.93 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.6 172.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.452 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.16 156.74 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 57' ' ' THR . 2.3 p -47.13 121.61 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.99 2.82 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.6 p -54.99 175.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.325 . . . . 0.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' C ' HG23 ' B' ' 8' ' ' VAL . 6.6 pt-20 -139.1 163.09 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.8 p -137.27 113.06 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -97.06 99.7 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.59 132.64 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 64' ' ' ILE . 12.7 mt -117.15 116.99 53.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -124.25 117.86 25.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.648 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.8 pt20 -117.01 117.53 29.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 174.34 -152.98 15.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 70' ' ' GLU . 5.0 mp0 -109.23 -32.71 7.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 71' ' ' GLN . 14.1 m-20 -90.66 -57.19 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.934 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 7.0 pm0 25.59 35.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.948 0.78 . . . . 0.0 111.283 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.72 5.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.236 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.28 -25.9 6.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.51 20.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.849 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.5 mt -82.47 -41.53 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.0 111.068 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.17 -52.2 30.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.01 0.5 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.1 mp -50.5 -53.49 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -57.15 -40.41 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.729 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.22 -34.88 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -76.99 -36.37 56.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.0 t -77.81 -12.5 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 31.0 tt0 -116.46 36.03 4.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 38.4 mt-10 37.53 82.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 40.21 -148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.0 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.706 HG12 ' N ' ' B' ' 3' ' ' GLN . 43.3 t -148.84 172.44 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.317 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.706 ' N ' HG12 ' B' ' 2' ' ' VAL . 9.6 pt20 179.49 132.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.745 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.3 127.05 18.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.02 150.87 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -150.01 166.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -96.61 150.95 20.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 60' ' ' GLU . 50.7 t -81.12 145.52 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 10' ' ' LEU . 31.8 ttm180 -151.72 -80.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 9' ' ' ARG . 21.4 mt 36.33 -133.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.526 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.1 mttt -136.9 145.9 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.1 p -123.7 165.25 17.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 163.38 165.83 21.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 11' ' ' LYS . 58.7 mt -42.37 152.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.68 -164.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.17 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -75.89 -49.48 3.42 Favored Pre-proline 0 CA--C 1.533 0.295 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.969 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.9 Cg_exo -56.1 -51.09 10.26 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.364 2.042 . . . . 0.0 112.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.17 89.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.11 -26.78 62.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.24 -45.97 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . 42.9 t -75.15 -31.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.772 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -51.8 -45.99 64.08 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.022 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.71 -37.17 86.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.007 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.41 -19.75 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' VAL . 3.1 t30 -49.82 -22.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.128 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.25 20.01 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.634 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 26' ' ' ALA . 38.9 p90 -39.88 134.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.949 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -148.71 8.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.925 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 66' ' ' GLN . 3.3 t -156.79 8.47 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.372 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.39 121.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 13.7 t -111.48 128.8 67.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.14 122.61 38.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.88 131.48 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.397 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -137.09 136.28 38.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.542 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -171.13 134.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 52.96 30.55 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 -12.71 34.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -71.44 148.13 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 43.6 tttp -145.59 163.18 35.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 4.4 m -145.3 175.5 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.626 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 14.0 t-20 -45.5 -65.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 161.35 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.88 61.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.501 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -125.94 140.05 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.549 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.69 -40.99 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.53 -25.92 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.49 27.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.85 -43.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' B' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -49.6 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -49.87 -30.23 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.88 2.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.93 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.53 172.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.14 156.88 41.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.443 ' H ' HG23 ' B' ' 57' ' ' THR . 2.3 p -47.27 121.52 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.93 2.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.9 p -54.96 175.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.529 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.45 ' C ' HG23 ' A' ' 8' ' ' VAL . 6.6 pt-20 -139.0 163.26 32.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.638 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.9 p -137.31 113.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.255 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -97.15 99.74 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.58 132.57 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.113 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mt -117.16 116.99 53.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -124.33 117.85 25.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.613 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.476 ' O ' ' OG ' ' B' ' 31' ' ' SER . 3.8 pt20 -116.96 117.64 30.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.674 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 174.19 -152.98 15.61 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' C ' ' OE2' ' B' ' 70' ' ' GLU . 5.0 mp0 -109.29 -32.85 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.499 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' B' ' 71' ' ' GLN . 14.2 m-20 -90.51 -57.21 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.955 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' B' ' 70' ' ' GLU . 7.2 pm0 25.61 35.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.921 0.763 . . . . 0.0 111.317 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.78 5.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.254 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.3 -25.95 6.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.55 20.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.679 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.848 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.4 mt -82.46 -41.46 19.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.024 0.44 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.21 -52.19 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 81' ' ' VAL . 9.1 mp -50.47 -53.37 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -57.25 -40.26 77.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.784 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.78 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -77.06 -36.41 55.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 81' ' ' VAL . 97.4 t -77.8 -12.42 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' B' ' 83' ' ' GLU . 30.7 tt0 -116.58 36.09 4.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 82' ' ' GLN . 38.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 3' ' ' GLN . 53.6 t -151.59 164.15 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.438 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.59 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.3 pt20 -179.86 119.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.43 128.36 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.54 155.5 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.13 176.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.639 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.32 137.82 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.464 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.69 132.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' LEU . 88.4 mtt180 -145.56 6.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ARG . 12.2 mt -50.13 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -78.28 179.55 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -146.56 169.48 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 168.63 176.22 38.72 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.623 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.19 130.43 35.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.485 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-30 -53.87 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.04 -19.91 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.7 mtp180 -76.12 -43.21 3.59 Favored Pre-proline 0 N--CA 1.466 0.366 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.879 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -57.14 -46.57 27.71 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.474 2.116 . . . . 0.0 112.198 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.688 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.37 72.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.66 -26.92 68.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.99 -60.17 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.222 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' ASN . 39.8 t -65.34 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.28 -43.79 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.732 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.43 -38.72 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -80.33 -17.78 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.1 t30 -53.6 -27.68 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.307 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 95.1 mtt180 -91.14 13.86 15.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.511 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -87.91 -161.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 2.0 m -167.39 -3.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.194 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -93.42 -126.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.69 139.78 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.171 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 62.2 t -109.57 139.17 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.894 0.378 . . . . 0.0 110.375 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -145.95 121.76 10.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.21 118.03 32.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.46 141.58 50.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.59 130.84 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 40' ' ' LYS . 5.7 m-20 49.43 40.35 18.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 -23.58 1.51 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 38' ' ' ASP . 38.0 mttm -73.82 125.75 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HZ2' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -132.81 136.59 46.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.452 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.5 m -100.22 169.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.494 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 29.0 t30 -41.53 -48.84 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 169.56 -78.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 40.4 pttt -126.98 10.92 7.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -53.79 118.76 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 48' ' ' MET . 3.0 tt -53.73 -40.79 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.586 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 4.4 ptt? -72.35 -27.61 62.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.92 -39.93 49.22 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 50' ' ' LEU . 7.2 mp -77.16 -36.57 55.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 ttt -56.15 -17.65 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.567 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.61 -55.01 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.45 133.7 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -157.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.674 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.06 -161.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.484 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 p -146.94 155.98 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.82 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.3 -23.71 31.03 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 m -64.78 149.87 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.308 . . . . 0.0 110.418 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.08 164.35 21.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.83 143.82 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.347 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -98.85 100.11 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.088 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.79 125.91 35.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.91 133.05 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 111.35 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -136.1 114.5 11.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.596 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 5.8 pt20 -110.08 103.72 12.49 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.656 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.55 -160.19 32.49 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.96 -36.43 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.7 m-20 -73.9 2.17 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.6 pp20? -58.44 -0.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.2 tt0 -50.88 -52.55 40.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' A' ' 28' ' ' ARG . 63.0 mt-10 -54.92 -25.87 32.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.969 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.21 -55.27 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 110.954 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 74' ' ' LEU . 10.4 mp -82.84 -33.55 27.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.961 0.41 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.42 -66.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.58 -63.51 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.17 -34.48 22.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -59.93 -48.86 79.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.33 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.99 -27.92 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 83' ' ' GLU . 69.7 mt-30 -98.26 21.5 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 82' ' ' GLN . 8.4 mt-10 57.66 145.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -148.38 89.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.517 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.597 HG12 ' N ' ' B' ' 3' ' ' GLN . 53.6 t -151.67 164.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.597 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.3 pt20 -179.85 119.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -142.37 128.43 19.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.69 155.52 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.13 177.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -123.38 137.89 54.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.63 132.95 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 10' ' ' LEU . 87.6 mtt180 -145.75 6.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ARG . 12.2 mt -50.17 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.63 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -78.27 179.51 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -146.6 169.42 19.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 168.68 176.35 38.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.64 ' H ' HD23 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -80.29 130.49 35.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 14' ' ' LEU . 31.6 mt-30 -53.82 -165.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.15 -19.87 21.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.7 mtp180 -76.15 -43.09 3.54 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.0 Cg_exo -57.19 -46.6 27.38 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.482 2.121 . . . . 0.0 112.153 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.55 77.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.36 72.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.8 -26.79 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -53.03 -60.07 3.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 27' ' ' ASN . 39.8 t -65.51 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.178 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.43 -43.72 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.704 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -71.48 -38.71 71.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.593 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -80.22 -17.88 51.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 23' ' ' VAL . 32.2 t30 -53.56 -27.72 27.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.447 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 95.3 mtt180 -91.08 13.87 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.536 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -87.82 -161.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 2.0 m -167.5 -3.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.216 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.438 ' H ' ' H ' ' B' ' 30' ' ' THR . 75.4 p -93.4 -126.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.82 139.84 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 63.7 t -109.56 139.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.398 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -146.08 121.85 10.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.237 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.26 118.07 32.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.52 141.83 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.527 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.78 130.87 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' B' ' 40' ' ' LYS . 5.7 m-20 49.36 40.42 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 -23.39 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' B' ' 38' ' ' ASP . 38.1 mttm -74.01 125.77 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.68 ' HB3' ' HZ2' ' B' ' 41' ' ' LYS . 0.5 OUTLIER -132.74 136.47 46.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 m -100.18 169.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.574 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 29.0 t30 -41.55 -48.76 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 169.49 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.542 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 40.2 pttt -127.0 10.86 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -53.67 118.85 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 48' ' ' MET . 3.0 tt -53.92 -40.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.456 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 4.4 ptt? -72.49 -27.58 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.05 -39.66 49.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.687 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.2 mp -77.35 -36.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.68 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.6 ttt -56.28 -17.77 8.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -55.03 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.48 133.82 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.41 -157.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 m -138.13 -161.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 4.1 p -146.78 156.04 42.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.92 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.26 -23.68 31.2 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 44.6 m -64.88 149.79 48.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.0 164.26 21.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.79 143.88 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 13.4 m -98.94 100.22 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.92 125.95 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.9 132.95 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.048 0.451 . . . . 0.0 111.3 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -136.0 114.49 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.558 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.402 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 5.8 pt20 -110.1 103.77 12.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.44 -160.26 32.5 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.297 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.92 -36.39 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.521 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.7 m-20 -73.93 2.16 9.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.7 pp20? -58.41 -0.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.545 ' H ' ' C ' ' B' ' 69' ' ' ASP . 39.1 tt0 -50.93 -52.64 40.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 28' ' ' ARG . 62.6 mt-10 -54.77 -25.79 30.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.27 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.558 ' N ' HD12 ' B' ' 74' ' ' LEU . 10.4 mp -82.82 -33.56 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.994 0.426 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -70.31 -66.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.54 -63.54 1.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.13 -34.64 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.487 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.41 81.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.18 -46.21 91.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.06 -27.95 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.467 ' O ' ' O ' ' B' ' 83' ' ' GLU . 69.7 mt-30 -98.09 21.31 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' B' ' 82' ' ' GLN . 8.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 3' ' ' GLN . 60.1 t -147.36 171.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.702 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.0 pt20 -178.35 119.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 110.691 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -142.38 147.45 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -92.69 154.15 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.08 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -103.34 155.14 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -93.76 140.48 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -148.59 -8.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -43.49 151.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.45 128.29 35.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.25 129.53 55.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.64 -178.7 22.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 15' ' ' GLN . 6.9 mt -53.98 115.4 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' LEU . 28.1 mm-40 -49.91 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.94 -34.04 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 12.7 mtp180 -61.91 -54.47 50.46 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 37.5 Cg_endo -69.63 -30.48 22.83 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 121.958 1.772 . . . . 0.0 111.982 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.91 -33.14 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -50.65 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.61 -26.67 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.19 -46.55 72.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 27' ' ' ASN . 41.1 t -75.21 -32.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.8 -48.91 63.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.44 -36.79 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.132 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -74.39 -19.41 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.9 t30 -50.86 -23.12 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.437 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -96.13 19.93 10.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.654 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' N ' ' A' ' 30' ' ' THR . 23.7 p90 -38.67 -62.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.299 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.643 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m 44.56 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.075 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 29' ' ' PHE . 43.6 p -147.25 -12.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.186 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.5 OUTLIER 74.01 127.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.663 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 40.5 t -111.3 154.34 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.166 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 64.1 m-85 -149.62 121.87 8.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.617 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.92 143.26 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.88 140.08 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.601 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -167.9 148.26 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER 45.38 36.09 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.92 -23.2 0.7 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 38' ' ' ASP . 17.2 mttt -72.48 159.05 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 41.9 tttm -137.56 170.87 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 26.9 m -138.02 176.38 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.7 t-20 -52.15 -55.58 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 162.83 -48.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.438 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 25.1 pttt -153.33 -18.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t -53.84 146.58 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.8 mt -66.28 -44.35 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -49.0 -22.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.01 -47.95 12.38 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.19 -44.59 79.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.592 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.64 -34.23 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -58.7 -57.12 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.34 -153.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.76 -174.4 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG22 ' N ' ' A' ' 56' ' ' SER . 3.6 p -175.61 159.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -154.22 161.61 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -48.27 148.12 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.81 1.57 89.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.5 m -90.87 162.8 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' A' ' 59' ' ' THR . 14.9 pt-20 -134.1 163.5 29.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.1 p -140.33 123.03 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -80.61 99.94 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.752 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD21 ' HB1' ' A' ' 73' ' ' ALA . 1.8 tt -87.35 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.41 127.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -131.92 114.97 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.873 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 21.2 mt-30 -107.54 102.56 11.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.313 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.96 -171.45 36.28 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.03 -33.52 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 71' ' ' GLN . 26.7 m-20 -73.33 -3.87 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.9 pp20? -53.49 -5.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 69' ' ' ASP . 18.4 tt0 -50.75 -47.04 59.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.426 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 9.5 mp0 -59.86 -26.57 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.6 -54.25 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.776 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.4 mm? -81.74 -38.18 26.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.97 -66.34 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.71 -64.68 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mp -50.12 -46.2 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.77 -39.61 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.51 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.36 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.15 -40.8 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 77' ' ' LEU . 63.7 t -67.97 -17.3 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -109.99 7.08 23.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 57.05 32.36 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.65 128.87 41.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.545 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.704 HG12 ' N ' ' B' ' 3' ' ' GLN . 60.4 t -147.48 170.69 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.704 ' N ' HG12 ' B' ' 2' ' ' VAL . 11.9 pt20 -177.82 119.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.67 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -142.36 147.39 36.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -92.65 153.98 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -150.0 167.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.17 155.49 18.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.1 140.39 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -148.64 -8.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.62 151.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.46 128.35 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.35 129.51 55.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.472 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.57 -178.66 22.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 15' ' ' GLN . 6.9 mt -54.09 115.43 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' B' ' 14' ' ' LEU . 28.3 mm-40 -49.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.94 -34.12 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 12.6 mtp180 -61.82 -54.5 50.56 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 37.6 Cg_endo -69.67 -30.3 22.93 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.949 1.766 . . . . 0.0 112.049 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.1 65.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.6 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.59 -26.67 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.24 -46.71 72.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' B' ' 27' ' ' ASN . 40.8 t -75.15 -32.25 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.7 -49.01 63.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.916 0.389 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -72.36 -36.9 68.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.11 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -74.48 -19.28 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.485 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' B' ' 23' ' ' VAL . 7.0 t30 -50.87 -23.1 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.399 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -96.23 20.04 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.641 ' CG ' ' N ' ' B' ' 30' ' ' THR . 23.8 p90 -38.64 -62.49 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.241 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.641 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 1.7 m 44.45 14.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.054 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.572 ' N ' ' O ' ' B' ' 29' ' ' PHE . 45.3 p -147.3 -11.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.231 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.5 OUTLIER 73.84 127.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.756 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.745 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 40.6 t -111.12 154.39 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.192 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 33' ' ' VAL . 64.0 m-85 -149.76 121.92 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.877 0.37 . . . . 0.0 110.64 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.95 143.23 33.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.406 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -140.91 139.97 34.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -167.83 148.19 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 40' ' ' LYS . 0.9 OUTLIER 45.5 36.07 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.89 -23.23 0.7 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 38' ' ' ASP . 17.0 mttt -72.32 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 42.0 tttm -137.62 170.88 15.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 26.9 m -138.1 176.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.661 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 4.8 t-20 -52.17 -55.59 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 162.86 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 25.1 pttt -153.47 -18.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -53.78 146.67 13.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.36 -44.44 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -48.97 -22.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.06 -47.93 12.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.2 -44.58 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.7 -34.18 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -58.74 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.42 -153.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.73 -174.45 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.516 HG22 ' N ' ' B' ' 56' ' ' SER . 3.6 p -175.66 159.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.484 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.516 ' N ' HG22 ' B' ' 55' ' ' VAL . 1.1 m -154.08 161.59 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.648 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -48.14 147.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 1.53 89.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' B' ' 60' ' ' GLU . 54.7 m -90.84 162.88 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' B' ' 59' ' ' THR . 14.8 pt-20 -134.2 163.73 28.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.544 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.1 p -140.5 123.19 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -80.87 99.93 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.703 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB1' ' B' ' 73' ' ' ALA . 1.8 tt -87.29 137.25 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.087 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.44 127.58 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -131.91 114.88 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.882 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.404 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 20.9 mt-30 -107.29 102.51 11.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.283 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.12 -171.59 36.43 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -92.8 -33.6 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.434 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 71' ' ' GLN . 26.7 m-20 -73.32 -3.73 28.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.9 pp20? -53.56 -5.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' B' ' 69' ' ' ASP . 18.6 tt0 -50.81 -47.11 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 9.5 mp0 -59.74 -26.6 65.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.49 -54.29 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.778 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.4 mm? -81.84 -38.13 25.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.005 0.431 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.98 -66.35 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.63 -64.88 1.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 81' ' ' VAL . 10.7 mp -50.01 -46.1 52.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.92 -39.46 74.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.576 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.4 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -60.11 -40.77 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 77' ' ' LEU . 64.2 t -67.95 -17.47 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.652 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -109.78 6.98 23.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.627 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' B' ' 65' ' ' ALA . 55.6 t -155.65 156.45 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.454 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.8 pt20 -173.52 126.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.706 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.17 141.08 32.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.583 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.484 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 40.3 tt0 -102.67 143.67 32.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.74 144.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -144.41 -4.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 18.9 mt -53.87 159.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.46 164.39 18.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 p -141.01 165.38 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.1 -176.83 47.22 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.61 152.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -71.88 -163.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -29.31 17.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.29 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.7 mtm-85 -69.58 -49.17 22.58 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.977 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -56.12 -49.41 15.44 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' ' 47' ' ' ILE . . . -53.46 -44.22 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.87 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.59 -26.88 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.95 -48.29 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' A' ' 27' ' ' ASN . 48.9 t -73.85 -32.81 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.63 -45.17 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.215 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.81 -36.85 70.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -86.38 1.6 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 23' ' ' VAL . 16.2 t-20 -71.74 -25.95 62.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -89.52 -7.35 55.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.868 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -49.91 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.22 -179.714 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.9 m -171.57 17.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.7 p -136.64 3.07 2.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.4 OUTLIER 70.64 127.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 94.4 t -111.55 128.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.675 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.63 121.58 38.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.67 121.37 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.21 138.62 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 23.4 tptp -152.96 109.67 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 9.7 t0 73.83 24.54 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.75 -18.48 52.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -95.06 150.26 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.67 165.77 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' ASN . 16.2 m -111.34 172.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.575 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.8 t-20 -36.72 -54.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.442 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 168.69 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 19.1 pttt -140.94 11.01 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 p -59.22 140.36 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' HB1' ' A' ' 19' ' ' ALA . 13.3 mt -67.05 -51.19 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mtt -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.45 -35.66 90.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.76 -34.15 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.598 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -70.98 -31.59 68.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.8 t -61.78 -63.36 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.03 63.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.79 161.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.47 -159.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.17 178.62 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 128.19 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.28 4.62 60.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.7 p -89.81 169.87 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.22 161.88 32.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.5 p -142.16 119.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.52 113.27 25.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 2.9 pp -91.39 156.21 17.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 64' ' ' ILE . 9.7 mt -143.79 121.41 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.005 0.431 . . . . 0.0 111.099 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.99 116.35 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.631 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -108.29 97.8 7.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.636 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.68 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 165.53 -141.21 6.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 70' ' ' GLU . 49.4 tt0 -113.79 -41.43 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' OD2' ' OG1' ' A' ' 30' ' ' THR . 0.9 OUTLIER -63.66 -0.55 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 69' ' ' ASP . 16.2 tt0 -58.32 -47.54 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -62.29 -44.17 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.97 51.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.796 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 11.0 mp -81.87 -46.71 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 28.2 tt0 -68.83 -66.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -61.75 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -26.23 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.633 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -63.88 -50.06 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.59 74.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.551 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -77.1 -44.69 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 54.8 t -72.34 -26.92 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.79 -14.3 34.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.83 97.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.24 159.88 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.562 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.68 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' ALA . 55.9 t -155.77 156.46 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.453 ' N ' HG12 ' B' ' 2' ' ' VAL . 9.8 pt20 -173.5 126.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.696 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.23 141.09 32.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.559 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.44 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 39.9 tt0 -102.61 143.85 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 144.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -144.46 -5.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 mt -53.75 159.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.49 164.44 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -141.03 165.42 27.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.08 -176.96 47.22 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.38 152.58 40.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 110.694 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -71.87 -163.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.27 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.487 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 7.7 mtm-85 -69.53 -49.17 22.89 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.023 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 37.7 Cg_exo -56.17 -49.39 15.45 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.383 2.055 . . . . 0.0 111.94 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' B' ' 47' ' ' ILE . . . -53.37 -44.28 68.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.96 86.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.58 -26.93 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.83 -48.36 75.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.692 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' B' ' 27' ' ' ASN . 49.0 t -73.83 -32.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.66 -45.22 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.185 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.78 -36.84 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.025 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -86.3 1.57 50.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' B' ' 23' ' ' VAL . 16.2 t-20 -71.71 -26.03 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -89.38 -7.24 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.967 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -50.06 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.139 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.483 ' OG1' ' OD2' ' B' ' 69' ' ' ASP . 1.9 m -171.51 17.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.695 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 76.3 p -136.52 2.92 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.66 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.4 OUTLIER 70.8 127.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.402 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 95.3 t -111.5 128.53 67.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.873 0.368 . . . . 0.0 110.763 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.76 121.65 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.135 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.81 121.38 40.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -116.2 138.48 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.457 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -152.83 109.73 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 73.87 24.58 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.63 -18.38 52.91 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -95.12 150.17 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.57 165.77 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.761 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 43' ' ' ASN . 16.2 m -111.3 172.38 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.8 t-20 -36.65 -54.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 168.76 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' B' ' 29' ' ' PHE . 19.2 pttt -140.84 11.03 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.434 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -59.24 140.42 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.459 HG23 ' HB1' ' B' ' 19' ' ' ALA . 13.1 mt -67.21 -51.11 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 14.9 mtt -61.53 -25.59 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.44 -35.55 90.27 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.79 -34.17 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -71.0 -31.61 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -61.75 -63.35 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.3 mt -98.03 63.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.88 161.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.625 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.37 -159.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.23 178.56 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.44 4.44 60.85 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.7 p -89.66 169.93 10.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.28 161.92 32.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.603 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.5 p -142.23 119.06 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.47 113.22 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 63' ' ' LEU . 2.9 pp -91.22 156.24 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.194 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 64' ' ' ILE . 9.8 mt -143.9 121.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.012 0.434 . . . . 0.0 111.168 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.84 116.38 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.536 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -108.32 97.82 7.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.627 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 165.55 -141.19 6.84 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.253 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' B' ' 70' ' ' GLU . 49.3 tt0 -113.67 -41.52 3.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.616 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.483 ' OD2' ' OG1' ' B' ' 30' ' ' THR . 0.9 OUTLIER -63.6 -0.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.188 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' B' ' 75' ' ' GLU . 16.7 tt0 -58.24 -47.57 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.682 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.24 -44.08 97.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.89 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 78' ' ' ALA . 11.0 mp -81.9 -46.58 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 28.1 tt0 -68.92 -66.25 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.2 -61.67 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.31 -26.26 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.595 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' B' ' 74' ' ' LEU . . . -63.77 -50.09 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.55 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.51 74.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -77.15 -44.74 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 54.9 t -72.33 -26.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.65 -14.47 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.658 ' H2 ' ' N ' ' B' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 61.7 t -158.76 161.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.042 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.6 pt20 -158.6 144.68 16.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.136 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.07 160.61 39.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -71.65 165.63 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.03 179.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.72 147.59 46.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -86.37 143.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 10' ' ' LEU . 50.4 ttt-85 -146.92 -15.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.5 mt -45.83 175.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.37 157.53 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.6 164.12 30.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 171.77 168.7 33.67 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.6 mt -40.51 136.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.31 -170.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.69 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 6.9 mpt_? -73.13 -53.96 4.62 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 40.2 Cg_endo -69.66 -24.24 30.33 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.004 1.803 . . . . 0.0 112.063 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.96 68.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.635 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.74 -49.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.799 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 21' ' ' LEU . 4.3 mm? -63.49 -35.08 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.89 -48.39 16.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ASN . 53.8 t -75.1 -34.08 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.168 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -51.99 -39.0 58.72 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.708 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.87 -45.12 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -18.32 56.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.007 0.432 . . . . 0.0 110.074 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' VAL . 27.0 t-20 -56.36 -26.37 52.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.106 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.37 5.15 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HG23 ' A' ' 33' ' ' VAL . 3.1 t80 -81.6 156.86 24.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.56 ' N ' ' OD2' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -91.9 17.13 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.7 OUTLIER 68.24 134.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.847 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 54.5 t -124.9 128.7 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.165 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 35.6 m-85 -145.3 121.75 11.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 35' ' ' LEU . 5.7 mp -102.35 154.71 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.134 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -148.43 152.62 37.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.729 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.9 ptmt -177.26 144.54 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 40' ' ' LYS . 44.0 t0 37.04 44.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.62 -22.41 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LYS . 46.5 mttp -68.93 149.38 48.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.5 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -146.38 143.89 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' ASN . 27.1 m -106.16 161.62 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 10.2 t-20 -38.07 -70.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.294 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 164.67 -27.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.434 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.74 49.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -127.97 145.92 50.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.64 -51.12 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.602 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 48' ' ' MET . 8.2 tpt -50.48 -29.5 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.3 -54.36 27.35 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.4 -33.52 75.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -73.15 -50.75 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.58 -166.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.9 -158.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 56' ' ' SER . 13.5 p -166.18 163.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -123.99 175.3 7.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 56' ' ' SER . 24.4 m -76.78 127.14 32.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.88 -7.46 81.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.7 m -63.86 164.85 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.621 ' N ' HG22 ' A' ' 59' ' ' THR . 12.4 pt-20 -127.56 158.76 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 61' ' ' VAL . 7.5 p -137.64 117.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.62 148.34 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -128.71 144.8 51.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.435 HG23 HE22 ' B' ' 3' ' ' GLN . 75.8 mt -130.48 116.84 37.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 0.0 110.813 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.51 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -149.11 114.67 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.737 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -140.86 142.16 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.026 0.441 . . . . 0.0 110.697 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.762 ' N ' ' H2 ' ' B' ' 1' ' ' MET . . . 143.01 -104.75 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' GLU . 92.6 mt-10 -144.14 -44.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -73.87 26.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -72.61 21.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' ' 69' ' ' ASP . 20.2 tt0 -75.15 -55.4 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -58.73 -31.41 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -61.33 -54.67 40.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 110.76 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.764 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.0 mp -82.68 -42.91 17.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.38 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -65.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 73' ' ' ALA . 7.2 mt -50.12 -52.57 33.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.691 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.8 -46.81 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.491 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.712 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.69 -52.63 35.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.7 -35.04 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' GLU . 38.4 tt0 -59.3 -16.54 22.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' GLN . 50.2 tp10 37.8 79.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.01 -175.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.596 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.762 ' H2 ' ' N ' ' A' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.566 HG12 ' N ' ' B' ' 3' ' ' GLN . 63.2 t -158.8 161.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.996 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.566 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.6 pt20 -158.9 144.48 16.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.099 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -141.97 160.49 40.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.37 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -71.39 165.56 23.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.615 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -150.04 179.16 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.82 147.53 46.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -86.38 143.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' B' ' 10' ' ' LEU . 50.0 ttt-85 -146.79 -15.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' B' ' 9' ' ' ARG . 11.6 mt -45.67 175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.54 157.51 18.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.56 164.25 29.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 171.75 168.78 33.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 14' ' ' LEU . 6.7 mt -40.6 136.14 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.532 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.45 -170.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.73 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 6.9 mpt_? -72.99 -54.03 4.72 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 40.8 Cg_endo -69.61 -24.17 30.65 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.023 1.815 . . . . 0.0 112.14 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.98 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -48.98 27.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.733 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 21' ' ' LEU . 4.3 mm? -63.58 -34.95 78.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.93 -48.42 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 27' ' ' ASN . 53.9 t -75.1 -34.2 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.206 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -51.85 -38.99 58.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.736 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.83 -45.22 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.599 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.23 56.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' B' ' 23' ' ' VAL . 27.0 t-20 -56.33 -26.37 52.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.081 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.45 5.19 51.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.5 ' CD2' HG23 ' B' ' 33' ' ' VAL . 3.1 t80 -81.59 156.84 24.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' ' OD2' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -91.86 17.11 9.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.435 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.7 OUTLIER 68.27 134.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.861 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 55.9 t -125.06 128.7 73.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.128 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' B' ' 44' ' ' ALA . 35.5 m-85 -145.2 121.75 11.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' N ' HD12 ' B' ' 35' ' ' LEU . 5.7 mp -102.2 154.83 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.112 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -148.46 152.67 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' B' ' 40' ' ' LYS . 1.9 ptmt -177.35 144.57 0.41 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' LYS . 44.2 t0 37.08 44.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.7 -22.33 0.71 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' B' ' 37' ' ' LYS . 46.5 mttp -68.92 149.55 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -146.45 143.96 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.725 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' B' ' 43' ' ' ASN . 26.7 m -106.35 161.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.646 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 10.2 t-20 -37.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.351 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 164.7 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.55 49.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.495 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -128.02 145.92 50.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.64 -51.07 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.42 ' O ' ' OG ' ' B' ' 52' ' ' SER . 8.1 tpt -50.54 -29.48 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.33 -54.32 27.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.43 -33.52 75.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 35.7 ttp -68.79 -20.84 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 48' ' ' MET . 20.1 m -73.17 -50.68 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.66 -166.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.92 -158.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' B' ' 56' ' ' SER . 13.6 p -166.13 163.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' B' ' 55' ' ' VAL . 2.7 t -124.06 175.35 7.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.467 ' N ' ' OG ' ' B' ' 56' ' ' SER . 24.3 m -76.74 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.49 -7.11 82.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.605 HG22 ' N ' ' B' ' 60' ' ' GLU . 52.6 m -64.03 164.89 9.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.605 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -127.53 158.7 36.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 61' ' ' VAL . 7.2 p -137.61 117.46 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.57 148.33 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -128.74 144.75 51.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.421 HG23 HE22 ' A' ' 3' ' ' GLN . 75.2 mt -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.064 0.459 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.517 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -149.19 114.61 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.787 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.42 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 43.9 tt0 -140.71 142.08 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.79 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.658 ' N ' ' H2 ' ' A' ' 1' ' ' MET . . . 143.09 -104.8 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 70' ' ' GLU . 92.8 mt-10 -144.13 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.441 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' B' ' 31' ' ' SER . 0.6 OUTLIER -73.86 26.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 68' ' ' GLU . 0.2 OUTLIER -72.8 22.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' B' ' 69' ' ' ASP . 20.5 tt0 -75.21 -55.35 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.78 -31.41 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -61.28 -54.62 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.75 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 9.9 mp -82.76 -42.96 17.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.192 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -65.26 0.98 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 73' ' ' ALA . 7.2 mt -50.03 -52.6 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.645 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.93 -46.68 81.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.521 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.36 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -67.48 -52.63 36.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.661 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.76 -34.98 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' B' ' 83' ' ' GLU . 38.3 tt0 -59.33 -16.42 22.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' B' ' 82' ' ' GLN . 50.3 tp10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 3' ' ' GLN . 68.9 t -150.18 164.58 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.593 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.8 pt20 -170.8 119.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 63' ' ' LEU . 52.9 mt-30 -142.27 139.03 31.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -84.62 154.15 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.9 m -150.2 177.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -116.24 147.55 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.37 131.48 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -140.02 -87.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt 43.16 -116.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.8 163.24 34.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.16 167.54 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 140.2 145.56 4.68 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -35.0 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.909 0.385 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.56 -165.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -83.8 -25.86 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 mtt-85 -65.96 -54.96 24.22 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 38.1 Cg_endo -69.53 -41.98 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.072 1.848 . . . . 0.0 112.08 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.25 75.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.803 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.44 -34.51 78.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.62 -45.18 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 54.2 t -70.1 -31.8 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -69.18 -45.64 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.679 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 29' ' ' PHE . . . -73.63 -26.13 60.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -54.85 -23.96 20.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 56.2 mtt180 -94.81 -0.55 54.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.881 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 26' ' ' ALA . 62.2 m-85 -149.39 132.96 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.37 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.4 t -69.19 -33.79 73.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.72 87.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' THR . 22.2 m-20 -45.65 132.01 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.643 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 2.9 t -106.02 128.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.12 150.24 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.514 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -139.95 130.09 25.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.209 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -129.41 144.33 51.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.502 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.17 120.51 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' ASP . 11.4 t0 66.96 20.49 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.62 -22.4 21.12 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -75.15 103.59 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -95.48 143.29 26.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.12 -179.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.605 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 20.1 t-20 -47.84 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 167.4 -20.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 10.2 pttp -177.96 -8.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 45' ' ' LYS . 13.2 m -55.5 127.05 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -54.68 -35.18 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 mtt -56.0 -42.85 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.74 61.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 50' ' ' LEU . 11.0 mp -82.39 -49.62 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -48.93 -28.73 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 m -75.66 -52.58 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.528 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -91.43 -163.28 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.01 178.65 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.62 179.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.72 151.15 30.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -50.91 125.39 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.44 -6.74 53.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 60' ' ' GLU . 29.5 m -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' N ' HG22 ' A' ' 59' ' ' THR . 32.4 mt-10 -131.72 175.13 9.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.94 139.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -83.98 99.77 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 64' ' ' ILE . 5.0 tt -88.54 117.43 27.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.666 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.3 mt -127.44 116.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.888 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -120.41 116.48 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -107.33 104.31 13.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.7 171.05 39.24 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.223 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -80.74 -44.56 18.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.397 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.6 m-20 -92.62 29.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.318 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.89 8.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.508 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' A' ' 69' ' ' ASP . 25.4 tt0 -50.65 -33.14 21.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 2.3 pp20? -51.32 -38.53 53.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.021 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -64.85 -46.22 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 2.2 mt -81.59 -44.07 17.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.964 0.411 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.32 -66.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.56 -68.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 77' ' ' LEU . 11.1 mp -50.21 -51.65 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.58 -30.69 63.47 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.33 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.56 32.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.346 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.3 -44.3 88.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.244 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.34 -19.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -66.55 -4.24 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' VAL . 69.8 tt0 54.08 102.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -45.88 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLU . 88.9 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.603 HG12 ' N ' ' B' ' 3' ' ' GLN . 68.7 t -150.19 164.53 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.603 ' N ' HG12 ' B' ' 2' ' ' VAL . 12.7 pt20 -170.8 119.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.608 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 63' ' ' LEU . 52.8 mt-30 -142.27 138.92 31.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.495 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -84.56 154.2 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 m -150.19 178.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.691 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.3 147.54 41.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.38 131.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -139.9 -87.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt 43.1 -116.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.88 163.17 34.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.11 167.58 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.712 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 14' ' ' LEU . . . 140.15 145.73 4.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.626 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -35.02 148.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.593 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.52 -165.17 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 20' ' ' ALA . . . -83.74 -25.86 30.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.456 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 8.7 mtt-85 -65.96 -54.89 24.71 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_endo -69.56 -41.95 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.086 1.858 . . . . 0.0 112.157 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -33.4 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.819 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 16' ' ' ALA . . . -66.28 -39.72 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.775 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.39 -34.55 78.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.61 -45.15 13.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 54.5 t -70.16 -31.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.49 -24.86 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.59 ' N ' ' OE1' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -69.25 -45.7 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 29' ' ' PHE . . . -73.59 -26.1 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 54.7 t-20 -54.94 -23.83 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.031 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' B' ' 29' ' ' PHE . 56.0 mtt180 -95.02 -0.38 53.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.856 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' B' ' 26' ' ' ALA . 61.9 m-85 -149.41 132.93 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 111.42 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.591 ' O ' ' N ' ' B' ' 32' ' ' ASP . 1.4 t -69.17 -33.82 73.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.74 87.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' THR . 22.3 m-20 -45.8 132.18 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 2.9 t -106.15 128.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.18 150.16 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.503 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -139.77 130.16 25.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -129.63 144.33 51.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.47 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.16 120.65 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 38' ' ' ASP . 11.2 t0 66.81 20.5 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.73 -22.46 21.23 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -75.12 103.48 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -95.47 143.49 26.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.21 -179.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 20.2 t-20 -47.78 -62.54 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 167.57 -20.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 10.2 pttp -178.02 -7.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.431 ' H ' ' H ' ' B' ' 45' ' ' LYS . 13.0 m -55.56 126.9 27.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.48 -35.22 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 42.2 mtt -56.08 -42.7 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.77 61.49 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 50' ' ' LEU . 11.0 mp -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -49.08 -28.72 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -75.53 -52.67 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 mt -91.43 -163.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.73 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.64 179.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.68 151.36 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.8 p -51.09 125.46 13.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.28 -6.64 53.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' N ' ' B' ' 60' ' ' GLU . 30.5 m -82.88 163.3 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 110.516 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.588 ' N ' HG22 ' B' ' 59' ' ' THR . 32.2 mt-10 -131.75 175.05 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.79 139.61 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -84.16 100.0 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.672 ' C ' HD23 ' B' ' 63' ' ' LEU . 5.0 tt -88.7 117.21 27.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.663 ' N ' HD23 ' B' ' 63' ' ' LEU . 3.2 mt -127.23 116.81 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -120.46 116.5 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.798 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.409 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 9.0 pt20 -107.33 104.42 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.392 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.45 170.87 38.87 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.56 -44.52 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.5 m-20 -92.58 29.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.346 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.84 8.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' B' ' 69' ' ' ASP . 25.3 tt0 -50.66 -33.14 21.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.621 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 73' ' ' ALA . 2.3 pp20? -51.21 -38.61 53.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.027 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' B' ' 72' ' ' GLU . . . -64.7 -46.29 82.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.723 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.777 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 2.0 mt -81.59 -43.94 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.974 0.416 . . . . 0.0 111.52 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.36 -66.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.57 -68.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.511 HD12 ' N ' ' B' ' 77' ' ' LEU . 11.2 mp -50.18 -51.69 41.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.65 -30.85 63.79 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.27 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.07 -45.69 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.398 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.22 -44.25 88.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.299 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.38 -18.91 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -66.59 -4.26 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.869 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.573 ' N ' ' OE1' ' B' ' 70' ' ' GLU . 21.3 t -150.28 129.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.437 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.55 HE22 HG12 ' B' ' 64' ' ' ILE . 2.1 pt20 -140.38 146.38 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.26 159.08 42.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.453 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.28 162.25 29.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.29 179.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 53.6 mt-10 -122.51 153.96 38.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' ' HA ' ' B' ' 60' ' ' GLU . 84.2 t -95.87 111.81 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.23 -1.28 16.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.603 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -51.07 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.48 137.9 31.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.57 130.1 36.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.57 -177.4 40.07 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 8.8 mt -50.62 147.36 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -84.54 -167.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.507 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.24 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 mtt-85 -76.02 -50.0 3.19 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.912 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.7 Cg_exo -56.55 -41.35 76.89 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.277 1.985 . . . . 0.0 111.878 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.95 84.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.36 86.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.22 -26.72 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.65 -48.15 82.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . 35.6 t -71.16 -32.7 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.484 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -51.95 -49.26 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.0 109.934 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.41 -36.76 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.92 -18.67 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.344 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' VAL . 46.5 t-20 -50.62 -24.13 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 110.076 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 30' ' ' THR . 96.9 mtt-85 -98.37 21.79 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.617 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CG ' ' NZ ' ' A' ' 45' ' ' LYS . 18.7 p90 -36.86 125.75 0.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.227 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.3 p -131.48 3.2 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.653 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 66' ' ' GLN . 1.2 t -153.5 -1.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.323 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER 76.22 131.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.6 t -113.6 128.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.455 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 44' ' ' ALA . 25.6 m-85 -136.79 122.32 19.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.5 mt -100.28 137.04 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.431 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.65 143.93 50.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.18 111.98 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 57.25 25.92 11.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.73 -19.0 56.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.14 112.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.29 153.59 23.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.543 ' C ' ' H ' ' A' ' 44' ' ' ALA . 1.5 m -117.23 170.58 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.332 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -69.82 38.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 59.44 -94.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.681 ' NZ ' ' CG ' ' A' ' 29' ' ' PHE . 14.2 pttt -110.9 75.25 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 3.5 p -134.28 127.57 32.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.58 -42.17 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.2 mtm -70.28 -40.55 74.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . -53.15 -57.72 14.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -46.89 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.3 ttt -51.95 -43.75 63.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -58.3 -36.12 72.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.39 133.71 48.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.78 110.07 15.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.94 164.16 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -120.75 169.87 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 57' ' ' THR . 13.8 p -59.15 129.3 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.87 -21.83 37.13 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 60' ' ' GLU . 39.8 m -65.09 169.61 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.656 ' N ' HG22 ' A' ' 59' ' ' THR . 12.5 pt-20 -136.25 167.39 21.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.69 137.77 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 m -87.73 100.53 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 8.2 tt -82.78 145.56 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.0 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.559 HG12 HE22 ' B' ' 3' ' ' GLN . 28.8 mt -131.94 116.8 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 111.084 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -139.03 115.01 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.842 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' OG ' ' A' ' 31' ' ' SER . 69.6 mt-30 -136.09 130.95 34.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.672 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.893 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 155.36 166.11 15.12 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 26.2 tp10 -72.68 69.74 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 110.818 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 71' ' ' GLN . 2.9 m-20 175.24 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.655 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 2' ' ' VAL . 7.4 pt-20 29.52 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.143 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 69' ' ' ASP . 31.1 tt0 -75.0 -52.46 11.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.659 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 19.9 mp0 -63.21 -33.58 75.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -57.8 -54.64 44.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.646 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.762 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 35.1 mt -82.95 -43.16 16.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 29.1 tt0 -69.44 -66.49 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.34 -64.34 1.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 6.2 mt -50.36 -52.23 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.754 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.86 -31.93 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.561 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.97 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -74.34 -34.4 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 55.9 t -68.62 -15.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 84' ' ' GLU . 81.0 mt-30 -119.64 69.27 0.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 82' ' ' GLN . 48.4 mt-10 -36.37 94.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.564 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' GLN . 15.9 tp10 -174.41 77.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.893 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.578 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 21.3 t -150.18 129.39 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.559 HE22 HG12 ' A' ' 64' ' ' ILE . 2.2 pt20 -140.05 146.49 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.078 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.29 159.19 42.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -71.4 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.51 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.24 179.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.545 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.517 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 53.5 mt-10 -122.5 154.11 38.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.402 ' H ' ' HA ' ' A' ' 60' ' ' GLU . 84.1 t -95.99 111.75 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.27 -1.28 16.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.15 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.47 137.8 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.49 130.24 36.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.79 -177.52 40.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 14' ' ' LEU . 8.8 mt -50.53 147.34 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -84.54 -167.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -19.19 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 5.3 mtt-85 -76.11 -50.07 3.1 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.945 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.4 Cg_exo -56.41 -41.58 74.71 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.388 2.059 . . . . 0.0 111.835 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.21 85.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.51 87.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.08 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.57 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 27' ' ' ASN . 34.7 t -71.17 -32.68 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -51.89 -49.36 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 109.932 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.3 -36.72 83.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.909 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.02 -18.62 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.305 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' B' ' 23' ' ' VAL . 46.4 t-20 -50.63 -24.03 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 110.125 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.438 ' O ' HG23 ' B' ' 30' ' ' THR . 96.9 mtt-85 -98.47 21.72 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.683 ' CG ' ' NZ ' ' B' ' 45' ' ' LYS . 18.5 p90 -36.86 125.73 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.438 HG23 ' O ' ' B' ' 28' ' ' ARG . 2.4 p -131.48 3.23 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 66' ' ' GLN . 1.2 t -153.51 -1.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.316 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' B' ' 31' ' ' SER . 1.0 OUTLIER 76.21 131.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.733 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 14.3 t -113.62 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' B' ' 44' ' ' ALA . 25.8 m-85 -136.77 122.19 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.386 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -100.07 137.13 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.73 143.95 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.19 111.97 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 57.3 25.79 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.86 -18.93 56.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.23 112.33 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.25 153.44 23.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' B' ' 44' ' ' ALA . 1.5 m -117.23 170.52 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.8 38.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 59.51 -94.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.683 ' NZ ' ' CG ' ' B' ' 29' ' ' PHE . 14.2 pttt -110.93 75.35 0.92 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 49' ' ' GLY . 3.5 p -134.36 127.47 31.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.55 -42.13 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 41.4 mtm -70.49 -40.36 73.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.664 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' B' ' 46' ' ' SER . . . -53.23 -57.64 14.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.68 -46.85 87.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -52.06 -43.6 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 m -58.33 -36.06 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.53 133.68 47.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.71 109.99 15.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.88 164.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.9 p -120.83 169.79 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -59.02 129.21 41.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 -21.83 37.08 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.662 HG22 ' N ' ' B' ' 60' ' ' GLU . 39.1 m -65.11 169.67 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.662 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -136.28 167.4 21.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.65 137.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -87.73 100.52 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.76 145.48 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.049 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.55 HG12 HE22 ' A' ' 3' ' ' GLN . 28.8 mt -131.81 116.76 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.439 . . . . 0.0 111.134 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.519 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -138.95 114.9 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.849 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.456 ' N ' ' OG ' ' B' ' 31' ' ' SER . 69.6 mt-30 -135.96 130.98 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.869 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 155.32 165.98 14.92 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' B' ' 69' ' ' ASP . 26.2 tp10 -72.59 69.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 71' ' ' GLN . 2.9 m-20 175.17 -71.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.672 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' A' ' 2' ' ' VAL . 7.5 pt-20 29.56 33.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.12 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' B' ' 69' ' ' ASP . 31.0 tt0 -75.1 -52.46 10.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.538 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.0 mp0 -63.19 -33.54 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -57.73 -54.65 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 34.7 mt -82.88 -43.23 16.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.369 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 29.0 tt0 -69.43 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.26 -64.36 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 73' ' ' ALA . 6.1 mt -50.41 -52.24 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.772 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.77 -32.05 65.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.543 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.99 -41.08 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -74.15 -34.6 63.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 55.9 t -68.37 -15.55 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.484 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' B' ' 83' ' ' GLU . 81.0 mt-30 -119.48 69.4 0.83 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 82' ' ' GLN . 48.9 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.682 ' CB ' ' H ' ' B' ' 67' ' ' GLY . 6.3 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 59.1 t -158.26 161.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.46 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 3.6 pt20 -166.87 143.58 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -142.17 167.48 22.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -71.12 157.08 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.17 171.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.6 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -118.74 140.19 50.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 t -72.74 142.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -152.8 -3.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.2 mp -49.81 164.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.77 160.83 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -143.81 148.17 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.72 -166.24 36.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.77 154.6 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.8 -36.17 14.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -63.01 -49.34 81.91 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.027 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.9 Cg_exo -56.21 -42.49 65.65 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.101 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.25 82.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.48 99.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 35' ' ' LEU . 57.5 t80 -46.04 -43.02 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.7 t -73.12 -34.21 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -60.05 -26.51 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -45.5 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.13 -26.37 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -49.86 -29.75 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.68 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -93.06 -11.52 32.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.287 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' ALA . 90.4 m-85 -138.68 114.52 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.575 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ASP . 24.5 p -90.67 37.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 32' ' ' ASP . 20.5 p -75.19 14.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 31' ' ' SER . 1.5 m-20 49.5 103.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 3.2 t -109.67 128.47 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.5 m-85 -132.94 121.81 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.637 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 13.2 mt -95.93 121.55 37.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.194 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' LYS . 19.1 tt0 -116.7 158.6 23.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.895 0.378 . . . . 0.0 110.787 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 pttp -178.89 131.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.19 23.93 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.81 -23.92 14.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.32 151.02 21.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -145.99 -179.49 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.75 174.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.514 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.702 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 t30 -43.16 -65.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 157.98 -28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' VAL . 16.6 pttt -179.79 54.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.85 142.65 49.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 47' ' ' ILE . 3.4 mt -65.79 -50.24 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.5 -23.37 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.09 -54.91 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.73 -28.11 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.56 -16.73 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -50.08 -61.25 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -161.18 -169.13 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.58 166.49 24.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.522 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 56' ' ' SER . 15.2 m -96.36 -149.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.493 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 55' ' ' VAL . 29.0 m -144.31 149.28 35.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' THR . 8.5 t -46.93 124.99 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.89 -29.92 10.52 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.1 m -62.42 137.05 58.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.447 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.92 160.08 15.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.72 136.98 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.9 m -88.01 115.69 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.33 144.86 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.487 HG23 HE22 ' B' ' 3' ' ' GLN . 76.8 mt -135.36 116.82 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -154.23 114.71 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.83 136.01 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.47 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.664 ' H ' ' CB ' ' B' ' 1' ' ' MET . . . 142.97 -168.66 25.94 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.7 59.83 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.79 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.84 2.37 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 75' ' ' GLU . 50.1 tt0 -51.81 -50.47 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.29 -47.15 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.487 -179.744 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -51.1 -54.73 22.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.12 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.8 tp -82.49 -48.27 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.805 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 71' ' ' GLN . 18.6 tt0 -69.21 -66.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -79.45 -64.96 1.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.0 tp -49.75 -47.52 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.32 -34.15 66.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.63 -32.84 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -77.23 -48.53 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 81' ' ' VAL . 55.1 t -59.14 -16.81 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 16.2 mt-30 -116.61 62.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.42 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLN . 29.5 mm-40 -36.75 96.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' GLN . 22.5 mt-10 -56.4 -179.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.575 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.664 ' CB ' ' H ' ' A' ' 67' ' ' GLY . 6.2 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.583 HG12 ' N ' ' B' ' 3' ' ' GLN . 58.5 t -158.16 162.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.583 ' N ' HG12 ' B' ' 2' ' ' VAL . 3.6 pt20 -167.55 143.4 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -142.15 167.36 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.06 157.07 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.12 171.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.89 140.14 50.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.66 142.86 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -153.02 -3.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.2 mp -49.83 164.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.78 160.82 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -143.86 148.08 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.86 -166.34 37.04 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.68 154.66 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.25 14.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.9 OUTLIER -62.98 -49.31 82.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.021 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.6 Cg_exo -56.19 -42.63 64.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.131 . . . . 0.0 112.028 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.1 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.56 98.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.72 -39.25 93.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' B' ' 35' ' ' LEU . 57.4 t80 -45.9 -43.01 13.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' B' ' 45' ' ' LYS . 60.3 t -73.14 -34.26 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -59.94 -26.7 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.63 -45.43 52.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -77.16 -26.4 53.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -49.87 -29.82 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.643 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -93.02 -11.49 32.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.351 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 26' ' ' ALA . 90.5 m-85 -138.6 114.47 9.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.405 ' C ' ' H ' ' B' ' 32' ' ' ASP . 24.1 p -90.69 37.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 32' ' ' ASP . 20.6 p -75.25 14.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 31' ' ' SER . 1.5 m-20 49.42 103.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t -109.67 128.58 65.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.196 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.5 m-85 -133.01 121.75 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.659 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' B' ' 22' ' ' PHE . 13.2 mt -96.02 121.46 37.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.175 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 37' ' ' LYS . 19.2 tt0 -116.6 158.51 23.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.869 0.366 . . . . 0.0 110.784 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 16.4 pttp -178.81 131.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 57.13 23.87 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 -23.99 14.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.28 151.05 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -146.05 -179.44 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.743 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.77 174.01 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.723 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 56.9 t30 -43.09 -65.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 43' ' ' ASN . . . 157.96 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.495 ' O ' HG22 ' B' ' 23' ' ' VAL . 16.7 pttt -179.72 54.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.86 142.66 49.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.75 -50.24 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.47 -23.46 25.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 -54.94 3.94 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.69 -28.21 68.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.48 -16.89 10.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -50.04 -61.37 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.581 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.477 HD12 ' C ' ' B' ' 53' ' ' LEU . 0.4 OUTLIER -161.1 -169.18 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.48 166.56 24.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 56' ' ' SER . 15.1 m -96.44 -149.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.473 ' N ' HG23 ' B' ' 55' ' ' VAL . 28.2 m -144.25 149.25 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' THR . . . . . 0.471 ' O ' HG23 ' B' ' 57' ' ' THR . 8.5 t -46.95 125.19 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.92 -30.16 10.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 29.6 m -62.44 137.04 58.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.525 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.91 160.01 15.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.65 137.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.1 m -88.14 115.78 25.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -89.35 144.67 25.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.173 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.519 HG23 HE22 ' A' ' 3' ' ' GLN . 76.7 mt -135.21 116.92 20.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.816 0.341 . . . . 0.0 110.81 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -154.34 114.62 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.307 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.79 136.32 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.682 ' H ' ' CB ' ' A' ' 1' ' ' MET . . . 142.76 -168.41 25.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.06 59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.734 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.624 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.76 2.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' B' ' 75' ' ' GLU . 50.0 tt0 -51.72 -50.49 60.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.31 -47.19 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.397 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' B' ' 72' ' ' GLU . . . -51.14 -54.6 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.108 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.8 tp -82.59 -48.21 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 0.0 111.788 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 71' ' ' GLN . 18.8 tt0 -69.26 -66.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -79.56 -64.84 1.09 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' B' ' 72' ' ' GLU . 2.0 tp -49.79 -47.44 51.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.34 -34.18 66.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.245 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.64 -32.75 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -77.14 -48.72 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.493 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.1 -16.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.436 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' B' ' 83' ' ' GLU . 16.2 mt-30 -116.48 63.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 82' ' ' GLN . 29.4 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 65' ' ' ALA . 19.9 m -145.34 174.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.271 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.17 119.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -142.52 142.01 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.79 160.27 29.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.29 179.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -123.18 159.29 28.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.71 146.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.47 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 10' ' ' LEU . 8.1 ttt85 -151.25 -4.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.7 mp -40.98 166.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.618 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.87 163.56 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -147.83 134.55 19.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.44 43.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.677 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.54 122.95 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' LEU . 75.9 mt-30 -51.82 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.98 -13.33 33.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.23 -49.76 3.06 Favored Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.006 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.0 Cg_exo -56.46 -44.03 49.83 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.413 2.075 . . . . 0.0 112.012 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.9 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.67 81.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.9 mp -77.09 -29.37 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -51.79 -46.59 64.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 42.5 t -75.25 -33.4 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.92 -49.48 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.669 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.81 -38.55 85.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -74.61 -23.08 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -49.79 -27.11 4.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.152 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -93.49 19.2 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -94.89 -162.28 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.471 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m -171.13 -2.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.002 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 15.3 p -95.43 -115.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 31' ' ' SER . 17.7 m-20 -160.85 135.66 7.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.142 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 58.5 t -106.02 137.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -145.78 121.65 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.7 118.06 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.646 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -119.37 125.48 49.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.7 142.17 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 40' ' ' LYS . 3.9 m-20 51.97 38.73 24.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.25 -12.29 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 38' ' ' ASP . 55.2 mttm -81.37 156.18 25.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.821 0.344 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -148.3 145.84 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.682 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' ASN . 12.5 m -116.3 159.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.2 m-20 -36.53 -45.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.342 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 165.53 -102.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 34.0 pttt -104.29 12.71 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.7 m -53.89 138.0 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.5 -54.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.2 mtm -65.21 -21.04 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.46 90.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.84 -53.82 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.344 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.4 -21.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.54 -48.0 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -86.29 -150.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 161.25 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.84 -172.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -149.51 177.11 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.553 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.521 ' N ' ' OG ' ' A' ' 56' ' ' SER . 5.5 m -72.73 127.05 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.24 -23.3 36.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 p -55.74 174.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -146.76 166.73 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.22 141.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.63 100.74 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.65 120.8 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.778 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.74 126.43 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.24 118.13 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.485 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.55 21.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.374 . . . . 0.0 110.665 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.52 -162.81 30.48 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 70' ' ' GLU . 19.9 tt0 -95.67 -47.88 6.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 2.5 m-20 -63.7 4.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.384 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.5 pp20? -59.27 0.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 42.5 tt0 -54.67 -54.64 39.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.751 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -51.64 -25.74 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.47 -54.84 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.1 mt -82.68 -35.61 26.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.309 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.79 -66.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.07 -62.37 1.58 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.19 -35.5 26.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.41 -50.31 47.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.654 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.27 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -72.48 -54.04 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.641 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.2 t -60.16 -14.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -99.52 -0.12 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 42.55 38.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.06 143.82 25.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.533 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' ALA . 19.8 m -145.28 174.5 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.299 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.15 119.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -142.47 142.01 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.52 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.82 160.17 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.23 179.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -123.08 159.26 28.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.64 146.14 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' B' ' 10' ' ' LEU . 8.0 ttt85 -151.22 -4.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.508 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.7 mp -40.73 166.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.9 163.59 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -147.8 134.59 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.34 43.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.666 ' H ' HD23 ' B' ' 14' ' ' LEU . 0.2 OUTLIER -86.57 122.94 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 110.587 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LEU . 75.8 mt-30 -51.81 -168.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.01 -13.41 33.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -76.24 -49.8 3.04 Favored Pre-proline 0 CA--C 1.531 0.24 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.964 -179.354 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.4 Cg_exo -56.48 -44.03 49.77 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.445 2.097 . . . . 0.0 111.989 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.93 69.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 21' ' ' LEU . 10.8 mp -77.06 -29.39 55.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.79 -46.6 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 42.5 t -75.26 -33.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.999 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.96 -49.51 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.83 -38.49 85.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -74.57 -23.18 58.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 0.0 110.392 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -49.72 -27.26 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -93.39 19.08 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -94.83 -162.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.7 m -171.13 -2.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.025 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' B' ' 32' ' ' ASP . 14.7 p -95.43 -115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' SER . 17.8 m-20 -160.82 135.7 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 59.1 t -105.99 137.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 110.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.76 121.64 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.59 118.06 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.38 125.57 49.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.74 142.24 21.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 40' ' ' LYS . 3.9 m-20 51.89 38.8 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.14 -12.28 1.22 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' B' ' 38' ' ' ASP . 55.3 mttm -81.39 156.14 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -148.22 145.91 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' B' ' 43' ' ' ASN . 12.2 m -116.38 159.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.1 m-20 -36.68 -45.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.179 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 165.6 -102.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 34.2 pttt -104.24 12.68 33.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 75.8 m -53.81 137.99 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.42 -54.47 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 27.3 mtm -65.15 -21.14 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.13 -47.53 90.63 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.79 -53.84 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.463 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.41 -21.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.55 -47.88 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.588 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.19 -150.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.498 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.63 161.25 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.81 -172.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 57' ' ' THR . 1.0 OUTLIER -149.56 177.14 10.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.511 ' N ' ' OG ' ' B' ' 56' ' ' SER . 5.4 m -72.62 127.08 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.1 -23.3 36.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -55.63 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.631 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.88 166.59 26.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.14 141.35 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.338 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.65 100.68 12.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.62 120.85 32.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.77 126.34 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.118 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.17 118.22 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.471 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.47 21.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.698 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.49 -162.77 30.45 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.263 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' B' ' 70' ' ' GLU . 20.0 tt0 -95.67 -47.86 6.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 2.5 m-20 -63.87 4.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -59.35 0.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.542 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 69' ' ' ASP . 42.4 tt0 -54.77 -54.57 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.73 -25.73 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.44 -54.88 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.963 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 15.3 mt -82.62 -35.72 26.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.908 0.385 . . . . 0.0 111.255 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.83 -66.22 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.08 -62.46 1.56 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.16 -35.49 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.729 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.31 -50.3 47.9 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.758 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.21 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.677 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.59 -54.0 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.44 HG12 ' O ' ' B' ' 81' ' ' VAL . 53.1 t -60.25 -14.67 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -99.57 -0.05 41.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 42.54 38.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.04 143.78 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.408 ' H ' HG22 ' B' ' 85' ' ' VAL . 13.7 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' O ' ' B' ' 67' ' ' GLY . 41.0 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.607 ' H ' ' CD ' ' B' ' 70' ' ' GLU . 9.5 t -148.48 129.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' B' ' 65' ' ' ALA . 18.3 pt20 -144.43 143.66 31.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.667 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -142.39 142.45 32.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' A' ' 6' ' ' VAL . 13.2 ttmm -66.39 162.44 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.326 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 2.7 m -147.46 179.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.701 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -125.37 140.62 52.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.45 134.22 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' B' ' 82' ' ' GLN . 15.6 ttp180 -145.24 8.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.08 -178.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.37 168.01 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -150.4 158.82 44.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.498 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 176.94 158.3 19.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.643 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.53 141.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -67.87 -162.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -41.67 11.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.2 mtt-85 -56.04 -49.45 93.01 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.907 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.7 Cg_exo -55.99 -38.03 95.29 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.379 2.053 . . . . 0.0 111.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.01 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.13 -33.78 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.99 -28.87 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.59 -41.6 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 27' ' ' ASN . 54.7 t -74.22 -34.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -52.41 -49.02 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.9 -36.89 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -18.72 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 23' ' ' VAL . 56.3 t30 -53.07 -21.92 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' PHE . 87.5 mtt180 -96.14 16.05 19.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.804 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD2' ' N ' ' A' ' 30' ' ' THR . 29.0 p90 -34.06 -63.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.129 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 1.8 m 41.73 17.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.234 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 29' ' ' PHE . 87.7 p -152.29 -7.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 76.07 114.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 23.3 t -112.73 128.65 69.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.33 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.3 m-85 -133.49 121.79 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.727 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.21 117.89 30.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.129 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.59 149.41 34.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.887 0.375 . . . . 0.0 110.76 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 67.3 tttt -164.21 101.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 8.6 t0 75.61 35.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.86 -21.5 7.72 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.12 143.07 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.34 167.6 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ASN . 2.0 m -103.73 175.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.427 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.688 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 54.1 t-20 -40.49 -65.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 158.98 -23.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.522 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.33 63.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.79 143.29 48.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.451 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.75 -57.22 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.72 -24.51 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.89 88.83 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.01 -36.51 72.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mmt -54.01 -45.3 71.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 p -62.78 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 tt -91.56 107.92 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 53' ' ' LEU . . . -100.48 148.32 24.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.464 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.18 -163.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' HG21 ' A' ' 59' ' ' THR . 2.8 m -154.14 175.88 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.28 134.72 52.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.36 -8.82 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.413 HG21 ' H ' ' A' ' 56' ' ' SER . 77.0 p -75.85 172.66 12.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -142.81 158.78 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.8 p -141.63 122.9 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.531 ' OG1' ' NZ ' ' B' ' 5' ' ' LYS . 60.7 m -76.27 104.6 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.24 142.77 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.75 116.66 46.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -145.86 114.94 7.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.082 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -126.84 119.26 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.523 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 159.37 -156.07 27.18 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -101.62 -51.94 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.9 m-20 -73.02 3.34 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.6 ' CD ' ' H ' ' B' ' 2' ' ' VAL . 15.1 pt-20 -60.04 1.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.401 . . . . 0.0 110.362 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 69' ' ' ASP . 19.5 tt0 -50.68 -48.66 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.479 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -51.64 -25.78 7.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.5 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.6 mt -82.52 -36.11 26.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.306 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.94 -66.16 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.05 -63.16 1.4 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.0 -34.71 22.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.27 -41.67 76.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.61 -31.66 53.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.89 -46.65 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.32 -25.84 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' B' ' 9' ' ' ARG . 38.2 mm-40 -95.72 25.29 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 59.83 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.91 144.89 47.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 41.1 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.6 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 9.4 t -148.51 129.61 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.458 ' HB3' ' H ' ' A' ' 65' ' ' ALA . 18.3 pt20 -144.37 143.63 31.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.709 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -142.29 142.4 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.635 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.531 ' NZ ' ' OG1' ' A' ' 62' ' ' THR . 13.3 ttmm -66.29 162.51 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.52 ' N ' ' CG ' ' B' ' 5' ' ' LYS . 2.7 m -147.48 179.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -125.33 140.64 52.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.44 134.26 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 82' ' ' GLN . 15.8 ttp180 -145.33 8.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.09 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -93.28 168.19 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.588 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.1 p -150.62 158.63 44.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 177.04 158.4 20.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.641 ' H ' HD12 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -40.6 141.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.04 -162.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 -41.69 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.2 mtt-85 -55.97 -49.52 92.54 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.942 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_exo -55.9 -37.97 95.2 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.39 2.06 . . . . 0.0 112.013 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.2 -35.93 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.14 -33.79 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.07 -29.02 57.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.466 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.4 -41.65 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' B' ' 27' ' ' ASN . 54.2 t -74.22 -34.78 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.48 -49.13 65.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -71.69 -36.9 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.65 58.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' B' ' 23' ' ' VAL . 56.3 t30 -53.13 -21.97 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 29' ' ' PHE . 87.5 mtt180 -96.04 15.96 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.84 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' B' ' 30' ' ' THR . 29.1 p90 -33.92 -63.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.653 ' N ' ' CD2' ' B' ' 29' ' ' PHE . 1.7 m 41.83 17.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.231 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.588 ' N ' ' O ' ' B' ' 29' ' ' PHE . 87.9 p -152.29 -7.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.035 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.3 OUTLIER 75.99 114.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.671 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.744 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 23.3 t -112.79 128.69 69.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.293 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.6 m-85 -133.5 121.82 22.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.19 117.81 30.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.58 149.38 34.58 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.907 0.384 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 67.1 tttt -164.18 101.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' B' ' 37' ' ' LYS . 8.7 t0 75.72 35.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.98 -21.53 7.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -92.07 143.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.4 167.54 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.76 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.708 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 54.2 t-20 -40.41 -65.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 158.8 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.31 63.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 143.26 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.445 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -59.71 -57.18 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.58 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.96 88.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.98 -36.53 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -54.01 -45.2 71.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.5 p -62.96 -39.92 96.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.593 ' C ' HD23 ' B' ' 53' ' ' LEU . 3.1 tt -91.52 107.93 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.518 ' N ' HD23 ' B' ' 53' ' ' LEU . . . -100.42 148.29 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.21 -163.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.412 ' H ' HG21 ' B' ' 59' ' ' THR . 2.8 m -154.1 175.84 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.19 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.15 -8.8 72.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.412 HG21 ' H ' ' B' ' 56' ' ' SER . 76.7 p -76.01 172.65 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -142.74 158.85 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.535 ' O ' HG13 ' B' ' 61' ' ' VAL . 4.7 p -141.67 122.88 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' THR . . . . . 0.507 ' OG1' ' NZ ' ' A' ' 5' ' ' LYS . 61.0 m -76.29 104.67 6.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.22 142.73 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.66 116.65 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.348 . . . . 0.0 110.61 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -145.89 114.86 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -126.81 119.29 26.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 159.47 -156.15 27.28 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -101.67 -51.82 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.9 m-20 -73.07 3.44 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 2' ' ' VAL . 15.1 pt-20 -60.3 1.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' B' ' 69' ' ' ASP . 19.5 tt0 -50.85 -48.58 59.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -51.75 -25.68 8.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.54 -54.62 21.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.615 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.7 mt -82.47 -36.02 26.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.824 0.345 . . . . 0.0 111.248 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -70.03 -66.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -49.94 -34.69 21.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.23 -41.83 76.48 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.477 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.49 -31.52 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.1 -46.44 61.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.47 -25.84 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.506 ' OE1' ' NH2' ' A' ' 9' ' ' ARG . 38.1 mm-40 -95.68 25.36 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 59.79 153.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.89 145.1 46.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.561 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.587 ' N ' ' O ' ' B' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.701 HG12 ' N ' ' A' ' 3' ' ' GLN . 42.9 t -148.71 172.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.701 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.6 pt20 179.69 132.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.27 127.11 18.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.06 150.99 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.03 166.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -96.67 150.79 20.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' C ' ' B' ' 60' ' ' GLU . 51.2 t -80.98 145.5 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' LEU . 31.7 ttm180 -151.69 -79.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ARG . 21.4 mt 36.2 -133.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' HD23 ' B' ' 14' ' ' LEU . 88.1 mttt -136.8 146.03 45.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 p -123.74 165.25 17.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 163.27 165.8 21.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 11' ' ' LYS . 59.2 mt -42.31 153.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -87.8 -164.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.94 -21.03 21.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.05 -49.46 3.29 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.963 -179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.4 Cg_exo -56.23 -51.03 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.433 2.089 . . . . 0.0 111.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 -47.7 65.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.01 -26.87 62.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -56.17 -45.93 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . 42.7 t -75.22 -31.93 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -51.81 -46.12 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.958 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.67 -37.1 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.963 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -78.38 -19.94 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' VAL . 3.1 t30 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.0 19.87 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.675 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ALA . 38.9 p90 -39.75 134.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 t -148.77 8.44 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 66' ' ' GLN . 3.3 t -156.72 8.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.54 121.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.691 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.0 t -111.51 128.88 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.22 122.67 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.93 131.45 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -137.05 136.36 38.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -171.22 134.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 52.97 30.45 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.87 -12.74 34.31 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -71.31 148.12 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 43.3 tttp -145.66 163.15 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 4.4 m -145.2 175.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 14.2 t-20 -45.6 -65.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 161.29 -21.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.93 61.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -126.0 140.11 52.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.72 -41.16 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.31 -25.98 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.63 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.72 -53.31 28.38 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.95 -43.63 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.624 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.34 -49.65 76.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.3 m -49.81 -30.24 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.95 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.08 135.93 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.6 172.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.452 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.16 156.74 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 57' ' ' THR . 2.3 p -47.13 121.61 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.99 2.82 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.6 p -54.99 175.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.325 . . . . 0.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' C ' HG23 ' B' ' 8' ' ' VAL . 6.6 pt-20 -139.1 163.09 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.8 p -137.27 113.06 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -97.06 99.7 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.59 132.64 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 64' ' ' ILE . 12.7 mt -117.15 116.99 53.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -124.25 117.86 25.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.648 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.8 pt20 -117.01 117.53 29.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 174.34 -152.98 15.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 70' ' ' GLU . 5.0 mp0 -109.23 -32.71 7.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 71' ' ' GLN . 14.1 m-20 -90.66 -57.19 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.934 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 7.0 pm0 25.59 35.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.948 0.78 . . . . 0.0 111.283 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.72 5.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.236 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.28 -25.9 6.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.51 20.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.849 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.5 mt -82.47 -41.53 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.0 111.068 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.17 -52.2 30.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.01 0.5 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.1 mp -50.5 -53.49 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -57.15 -40.41 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.729 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.22 -34.88 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -76.99 -36.37 56.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.0 t -77.81 -12.5 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 31.0 tt0 -116.46 36.03 4.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 38.4 mt-10 37.53 82.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 40.21 -148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.0 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.706 HG12 ' N ' ' B' ' 3' ' ' GLN . 43.3 t -148.84 172.44 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.317 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.706 ' N ' HG12 ' B' ' 2' ' ' VAL . 9.6 pt20 179.49 132.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.745 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.3 127.05 18.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.02 150.87 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -150.01 166.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -96.61 150.95 20.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 60' ' ' GLU . 50.7 t -81.12 145.52 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 10' ' ' LEU . 31.8 ttm180 -151.72 -80.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 9' ' ' ARG . 21.4 mt 36.33 -133.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.526 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.1 mttt -136.9 145.9 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.1 p -123.7 165.25 17.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 163.38 165.83 21.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 11' ' ' LYS . 58.7 mt -42.37 152.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.68 -164.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.17 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -75.89 -49.48 3.42 Favored Pre-proline 0 CA--C 1.533 0.295 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.969 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.9 Cg_exo -56.1 -51.09 10.26 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.364 2.042 . . . . 0.0 112.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.17 89.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.11 -26.78 62.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.24 -45.97 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . 42.9 t -75.15 -31.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.772 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -51.8 -45.99 64.08 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.022 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.71 -37.17 86.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.007 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.41 -19.75 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' VAL . 3.1 t30 -49.82 -22.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.128 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.25 20.01 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.634 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 26' ' ' ALA . 38.9 p90 -39.88 134.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.949 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -148.71 8.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.925 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 66' ' ' GLN . 3.3 t -156.79 8.47 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.372 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.39 121.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 13.7 t -111.48 128.8 67.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.14 122.61 38.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.88 131.48 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.397 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -137.09 136.28 38.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.542 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -171.13 134.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 52.96 30.55 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 -12.71 34.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -71.44 148.13 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 43.6 tttp -145.59 163.18 35.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 4.4 m -145.3 175.5 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.626 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 14.0 t-20 -45.5 -65.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 161.35 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.88 61.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.501 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -125.94 140.05 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.549 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.69 -40.99 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.53 -25.92 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.49 27.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.85 -43.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' B' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -49.6 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -49.87 -30.23 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.88 2.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.93 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.53 172.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.14 156.88 41.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.443 ' H ' HG23 ' B' ' 57' ' ' THR . 2.3 p -47.27 121.52 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.93 2.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.9 p -54.96 175.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.529 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.45 ' C ' HG23 ' A' ' 8' ' ' VAL . 6.6 pt-20 -139.0 163.26 32.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.638 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.9 p -137.31 113.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.255 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -97.15 99.74 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.58 132.57 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.113 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mt -117.16 116.99 53.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -124.33 117.85 25.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.613 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.476 ' O ' ' OG ' ' B' ' 31' ' ' SER . 3.8 pt20 -116.96 117.64 30.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.674 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 174.19 -152.98 15.61 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' C ' ' OE2' ' B' ' 70' ' ' GLU . 5.0 mp0 -109.29 -32.85 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.499 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' B' ' 71' ' ' GLN . 14.2 m-20 -90.51 -57.21 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.955 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' B' ' 70' ' ' GLU . 7.2 pm0 25.61 35.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.921 0.763 . . . . 0.0 111.317 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.78 5.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.254 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.3 -25.95 6.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.55 20.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.679 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.848 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.4 mt -82.46 -41.46 19.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.024 0.44 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.21 -52.19 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 81' ' ' VAL . 9.1 mp -50.47 -53.37 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -57.25 -40.26 77.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.784 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.78 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -77.06 -36.41 55.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 81' ' ' VAL . 97.4 t -77.8 -12.42 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' B' ' 83' ' ' GLU . 30.7 tt0 -116.58 36.09 4.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 82' ' ' GLN . 38.6 mt-10 37.47 82.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 40.39 -147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 3' ' ' GLN . 53.6 t -151.59 164.15 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.438 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.59 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.3 pt20 -179.86 119.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.43 128.36 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.54 155.5 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.13 176.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.639 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.32 137.82 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.464 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.69 132.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' LEU . 88.4 mtt180 -145.56 6.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ARG . 12.2 mt -50.13 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -78.28 179.55 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -146.56 169.48 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 168.63 176.22 38.72 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.623 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.19 130.43 35.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.485 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-30 -53.87 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.04 -19.91 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.7 mtp180 -76.12 -43.21 3.59 Favored Pre-proline 0 N--CA 1.466 0.366 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.879 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -57.14 -46.57 27.71 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.474 2.116 . . . . 0.0 112.198 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.688 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.37 72.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.66 -26.92 68.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.99 -60.17 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.222 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' ASN . 39.8 t -65.34 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.28 -43.79 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.732 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.43 -38.72 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -80.33 -17.78 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.1 t30 -53.6 -27.68 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.307 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 95.1 mtt180 -91.14 13.86 15.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.511 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -87.91 -161.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 2.0 m -167.39 -3.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.194 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -93.42 -126.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.69 139.78 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.171 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 62.2 t -109.57 139.17 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.894 0.378 . . . . 0.0 110.375 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -145.95 121.76 10.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.21 118.03 32.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.46 141.58 50.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.59 130.84 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 40' ' ' LYS . 5.7 m-20 49.43 40.35 18.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 -23.58 1.51 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 38' ' ' ASP . 38.0 mttm -73.82 125.75 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HZ2' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -132.81 136.59 46.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.452 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.5 m -100.22 169.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.494 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 29.0 t30 -41.53 -48.84 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 169.56 -78.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 40.4 pttt -126.98 10.92 7.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -53.79 118.76 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 48' ' ' MET . 3.0 tt -53.73 -40.79 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.586 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 4.4 ptt? -72.35 -27.61 62.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.92 -39.93 49.22 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 50' ' ' LEU . 7.2 mp -77.16 -36.57 55.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 ttt -56.15 -17.65 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.567 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.61 -55.01 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.45 133.7 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -157.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.674 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.06 -161.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.484 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 p -146.94 155.98 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.82 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.3 -23.71 31.03 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 m -64.78 149.87 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.308 . . . . 0.0 110.418 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.08 164.35 21.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.83 143.82 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.347 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -98.85 100.11 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.088 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.79 125.91 35.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.91 133.05 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 111.35 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -136.1 114.5 11.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.596 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 5.8 pt20 -110.08 103.72 12.49 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.656 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.55 -160.19 32.49 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.96 -36.43 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.7 m-20 -73.9 2.17 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.6 pp20? -58.44 -0.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.2 tt0 -50.88 -52.55 40.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' A' ' 28' ' ' ARG . 63.0 mt-10 -54.92 -25.87 32.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.969 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.21 -55.27 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 110.954 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 74' ' ' LEU . 10.4 mp -82.84 -33.55 27.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.961 0.41 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.42 -66.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.58 -63.51 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.17 -34.48 22.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -59.93 -48.86 79.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.33 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.99 -27.92 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 83' ' ' GLU . 69.7 mt-30 -98.26 21.5 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 82' ' ' GLN . 8.4 mt-10 57.66 145.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -148.38 89.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.517 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.597 HG12 ' N ' ' B' ' 3' ' ' GLN . 53.6 t -151.67 164.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.597 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.3 pt20 -179.85 119.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -142.37 128.43 19.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.69 155.52 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.13 177.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -123.38 137.89 54.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.63 132.95 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 10' ' ' LEU . 87.6 mtt180 -145.75 6.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ARG . 12.2 mt -50.17 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.63 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -78.27 179.51 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -146.6 169.42 19.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 168.68 176.35 38.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.64 ' H ' HD23 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -80.29 130.49 35.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 14' ' ' LEU . 31.6 mt-30 -53.82 -165.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.15 -19.87 21.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.7 mtp180 -76.15 -43.09 3.54 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.0 Cg_exo -57.19 -46.6 27.38 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.482 2.121 . . . . 0.0 112.153 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.55 77.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.36 72.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.8 -26.79 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -53.03 -60.07 3.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 27' ' ' ASN . 39.8 t -65.51 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.178 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.43 -43.72 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.704 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -71.48 -38.71 71.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.593 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -80.22 -17.88 51.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 23' ' ' VAL . 32.2 t30 -53.56 -27.72 27.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.447 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 95.3 mtt180 -91.08 13.87 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.536 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -87.82 -161.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 2.0 m -167.5 -3.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.216 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.438 ' H ' ' H ' ' B' ' 30' ' ' THR . 75.4 p -93.4 -126.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.82 139.84 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 63.7 t -109.56 139.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.398 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -146.08 121.85 10.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.237 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.26 118.07 32.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.52 141.83 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.527 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.78 130.87 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' B' ' 40' ' ' LYS . 5.7 m-20 49.36 40.42 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 -23.39 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' B' ' 38' ' ' ASP . 38.1 mttm -74.01 125.77 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.68 ' HB3' ' HZ2' ' B' ' 41' ' ' LYS . 0.5 OUTLIER -132.74 136.47 46.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 m -100.18 169.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.574 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 29.0 t30 -41.55 -48.76 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 169.49 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.542 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 40.2 pttt -127.0 10.86 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -53.67 118.85 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 48' ' ' MET . 3.0 tt -53.92 -40.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.456 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 4.4 ptt? -72.49 -27.58 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.05 -39.66 49.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.687 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.2 mp -77.35 -36.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.68 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.6 ttt -56.28 -17.77 8.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -55.03 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.48 133.82 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.41 -157.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 m -138.13 -161.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 4.1 p -146.78 156.04 42.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.92 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.26 -23.68 31.2 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 44.6 m -64.88 149.79 48.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.0 164.26 21.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.79 143.88 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 13.4 m -98.94 100.22 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.92 125.95 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.9 132.95 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.048 0.451 . . . . 0.0 111.3 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -136.0 114.49 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.558 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.402 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 5.8 pt20 -110.1 103.77 12.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.44 -160.26 32.5 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.297 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.92 -36.39 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.521 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.7 m-20 -73.93 2.16 9.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.7 pp20? -58.41 -0.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.545 ' H ' ' C ' ' B' ' 69' ' ' ASP . 39.1 tt0 -50.93 -52.64 40.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 28' ' ' ARG . 62.6 mt-10 -54.77 -25.79 30.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.27 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.558 ' N ' HD12 ' B' ' 74' ' ' LEU . 10.4 mp -82.82 -33.56 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.994 0.426 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -70.31 -66.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.54 -63.54 1.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.13 -34.64 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.487 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.41 81.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.18 -46.21 91.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.06 -27.95 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.467 ' O ' ' O ' ' B' ' 83' ' ' GLU . 69.7 mt-30 -98.09 21.31 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' B' ' 82' ' ' GLN . 8.5 mt-10 57.78 145.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -148.32 89.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.506 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 3' ' ' GLN . 60.1 t -147.36 171.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.702 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.0 pt20 -178.35 119.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 110.691 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -142.38 147.45 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -92.69 154.15 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.08 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -103.34 155.14 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -93.76 140.48 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -148.59 -8.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -43.49 151.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.45 128.29 35.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.25 129.53 55.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.64 -178.7 22.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 15' ' ' GLN . 6.9 mt -53.98 115.4 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' LEU . 28.1 mm-40 -49.91 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.94 -34.04 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 12.7 mtp180 -61.91 -54.47 50.46 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 37.5 Cg_endo -69.63 -30.48 22.83 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 121.958 1.772 . . . . 0.0 111.982 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.91 -33.14 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -50.65 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.61 -26.67 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.19 -46.55 72.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 27' ' ' ASN . 41.1 t -75.21 -32.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.8 -48.91 63.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.44 -36.79 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.132 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -74.39 -19.41 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.9 t30 -50.86 -23.12 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.437 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -96.13 19.93 10.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.654 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' N ' ' A' ' 30' ' ' THR . 23.7 p90 -38.67 -62.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.299 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.643 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m 44.56 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.075 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 29' ' ' PHE . 43.6 p -147.25 -12.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.186 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.5 OUTLIER 74.01 127.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.663 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 40.5 t -111.3 154.34 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.166 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 64.1 m-85 -149.62 121.87 8.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.617 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.92 143.26 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.88 140.08 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.601 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -167.9 148.26 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER 45.38 36.09 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.92 -23.2 0.7 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 38' ' ' ASP . 17.2 mttt -72.48 159.05 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 41.9 tttm -137.56 170.87 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 26.9 m -138.02 176.38 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.7 t-20 -52.15 -55.58 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 162.83 -48.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.438 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 25.1 pttt -153.33 -18.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t -53.84 146.58 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.8 mt -66.28 -44.35 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -49.0 -22.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.01 -47.95 12.38 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.19 -44.59 79.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.592 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.64 -34.23 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -58.7 -57.12 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.34 -153.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.76 -174.4 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG22 ' N ' ' A' ' 56' ' ' SER . 3.6 p -175.61 159.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -154.22 161.61 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -48.27 148.12 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.81 1.57 89.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.5 m -90.87 162.8 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' A' ' 59' ' ' THR . 14.9 pt-20 -134.1 163.5 29.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.1 p -140.33 123.03 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -80.61 99.94 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.752 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD21 ' HB1' ' A' ' 73' ' ' ALA . 1.8 tt -87.35 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.41 127.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -131.92 114.97 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.873 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 21.2 mt-30 -107.54 102.56 11.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.313 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.96 -171.45 36.28 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.03 -33.52 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 71' ' ' GLN . 26.7 m-20 -73.33 -3.87 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.9 pp20? -53.49 -5.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 69' ' ' ASP . 18.4 tt0 -50.75 -47.04 59.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.426 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 9.5 mp0 -59.86 -26.57 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.6 -54.25 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.776 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.4 mm? -81.74 -38.18 26.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.97 -66.34 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.71 -64.68 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mp -50.12 -46.2 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.77 -39.61 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.51 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.36 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.15 -40.8 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 77' ' ' LEU . 63.7 t -67.97 -17.3 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -109.99 7.08 23.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 57.05 32.36 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.65 128.87 41.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.545 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.704 HG12 ' N ' ' B' ' 3' ' ' GLN . 60.4 t -147.48 170.69 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.704 ' N ' HG12 ' B' ' 2' ' ' VAL . 11.9 pt20 -177.82 119.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.67 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -142.36 147.39 36.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -92.65 153.98 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -150.0 167.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.17 155.49 18.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.1 140.39 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -148.64 -8.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.62 151.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.46 128.35 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.35 129.51 55.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.472 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.57 -178.66 22.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 15' ' ' GLN . 6.9 mt -54.09 115.43 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' B' ' 14' ' ' LEU . 28.3 mm-40 -49.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.94 -34.12 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 12.6 mtp180 -61.82 -54.5 50.56 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 37.6 Cg_endo -69.67 -30.3 22.93 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.949 1.766 . . . . 0.0 112.049 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.1 65.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.6 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.59 -26.67 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.24 -46.71 72.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' B' ' 27' ' ' ASN . 40.8 t -75.15 -32.25 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.7 -49.01 63.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.916 0.389 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -72.36 -36.9 68.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.11 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -74.48 -19.28 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.485 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' B' ' 23' ' ' VAL . 7.0 t30 -50.87 -23.1 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.399 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -96.23 20.04 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.641 ' CG ' ' N ' ' B' ' 30' ' ' THR . 23.8 p90 -38.64 -62.49 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.241 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.641 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 1.7 m 44.45 14.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.054 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.572 ' N ' ' O ' ' B' ' 29' ' ' PHE . 45.3 p -147.3 -11.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.231 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.5 OUTLIER 73.84 127.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.756 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.745 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 40.6 t -111.12 154.39 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.192 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 33' ' ' VAL . 64.0 m-85 -149.76 121.92 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.877 0.37 . . . . 0.0 110.64 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.95 143.23 33.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.406 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -140.91 139.97 34.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -167.83 148.19 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 40' ' ' LYS . 0.9 OUTLIER 45.5 36.07 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.89 -23.23 0.7 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 38' ' ' ASP . 17.0 mttt -72.32 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 42.0 tttm -137.62 170.88 15.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 26.9 m -138.1 176.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.661 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 4.8 t-20 -52.17 -55.59 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 162.86 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 25.1 pttt -153.47 -18.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -53.78 146.67 13.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.36 -44.44 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -48.97 -22.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.06 -47.93 12.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.2 -44.58 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.7 -34.18 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -58.74 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.42 -153.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.73 -174.45 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.516 HG22 ' N ' ' B' ' 56' ' ' SER . 3.6 p -175.66 159.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.484 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.516 ' N ' HG22 ' B' ' 55' ' ' VAL . 1.1 m -154.08 161.59 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.648 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -48.14 147.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 1.53 89.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' B' ' 60' ' ' GLU . 54.7 m -90.84 162.88 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' B' ' 59' ' ' THR . 14.8 pt-20 -134.2 163.73 28.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.544 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.1 p -140.5 123.19 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -80.87 99.93 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.703 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB1' ' B' ' 73' ' ' ALA . 1.8 tt -87.29 137.25 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.087 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.44 127.58 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -131.91 114.88 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.882 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.404 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 20.9 mt-30 -107.29 102.51 11.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.283 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.12 -171.59 36.43 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -92.8 -33.6 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.434 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 71' ' ' GLN . 26.7 m-20 -73.32 -3.73 28.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.9 pp20? -53.56 -5.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' B' ' 69' ' ' ASP . 18.6 tt0 -50.81 -47.11 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 9.5 mp0 -59.74 -26.6 65.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.49 -54.29 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.778 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.4 mm? -81.84 -38.13 25.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.005 0.431 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.98 -66.35 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.63 -64.88 1.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 81' ' ' VAL . 10.7 mp -50.01 -46.1 52.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.92 -39.46 74.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.576 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.4 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -60.11 -40.77 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 77' ' ' LEU . 64.2 t -67.95 -17.47 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.652 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -109.78 6.98 23.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 56.99 32.55 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -94.9 128.75 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.521 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.627 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' B' ' 65' ' ' ALA . 55.6 t -155.65 156.45 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.454 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.8 pt20 -173.52 126.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.706 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.17 141.08 32.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.583 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.484 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 40.3 tt0 -102.67 143.67 32.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.74 144.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -144.41 -4.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 18.9 mt -53.87 159.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.46 164.39 18.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 p -141.01 165.38 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.1 -176.83 47.22 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.61 152.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -71.88 -163.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -29.31 17.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.29 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.7 mtm-85 -69.58 -49.17 22.58 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.977 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -56.12 -49.41 15.44 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' ' 47' ' ' ILE . . . -53.46 -44.22 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.87 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.59 -26.88 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.95 -48.29 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' A' ' 27' ' ' ASN . 48.9 t -73.85 -32.81 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.63 -45.17 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.215 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.81 -36.85 70.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -86.38 1.6 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 23' ' ' VAL . 16.2 t-20 -71.74 -25.95 62.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -89.52 -7.35 55.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.868 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -49.91 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.22 -179.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.9 m -171.57 17.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.7 p -136.64 3.07 2.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.4 OUTLIER 70.64 127.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 94.4 t -111.55 128.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.675 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.63 121.58 38.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.67 121.37 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.21 138.62 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 23.4 tptp -152.96 109.67 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 9.7 t0 73.83 24.54 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.75 -18.48 52.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -95.06 150.26 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.67 165.77 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' ASN . 16.2 m -111.34 172.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.575 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.8 t-20 -36.72 -54.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.442 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 168.69 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 19.1 pttt -140.94 11.01 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 p -59.22 140.36 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' HB1' ' A' ' 19' ' ' ALA . 13.3 mt -67.05 -51.19 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mtt -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.45 -35.66 90.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.76 -34.15 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.598 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -70.98 -31.59 68.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.8 t -61.78 -63.36 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.03 63.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.79 161.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.47 -159.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.17 178.62 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 128.19 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.28 4.62 60.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.7 p -89.81 169.87 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.22 161.88 32.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.5 p -142.16 119.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.52 113.27 25.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 2.9 pp -91.39 156.21 17.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 64' ' ' ILE . 9.7 mt -143.79 121.41 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.005 0.431 . . . . 0.0 111.099 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.99 116.35 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.631 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -108.29 97.8 7.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.636 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.68 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 165.53 -141.21 6.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 70' ' ' GLU . 49.4 tt0 -113.79 -41.43 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' OD2' ' OG1' ' A' ' 30' ' ' THR . 0.9 OUTLIER -63.66 -0.55 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 69' ' ' ASP . 16.2 tt0 -58.32 -47.54 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -62.29 -44.17 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.97 51.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.796 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 11.0 mp -81.87 -46.71 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 28.2 tt0 -68.83 -66.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -61.75 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -26.23 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.633 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -63.88 -50.06 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.59 74.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.551 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -77.1 -44.69 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 54.8 t -72.34 -26.92 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.79 -14.3 34.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.83 97.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.24 159.88 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.562 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.68 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' ALA . 55.9 t -155.77 156.46 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.453 ' N ' HG12 ' B' ' 2' ' ' VAL . 9.8 pt20 -173.5 126.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.696 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.23 141.09 32.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.559 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.44 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 39.9 tt0 -102.61 143.85 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 144.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -144.46 -5.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 mt -53.75 159.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.49 164.44 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -141.03 165.42 27.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.08 -176.96 47.22 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.38 152.58 40.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 110.694 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -71.87 -163.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.27 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.487 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 7.7 mtm-85 -69.53 -49.17 22.89 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.023 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 37.7 Cg_exo -56.17 -49.39 15.45 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.383 2.055 . . . . 0.0 111.94 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' B' ' 47' ' ' ILE . . . -53.37 -44.28 68.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.96 86.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.58 -26.93 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.83 -48.36 75.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.692 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' B' ' 27' ' ' ASN . 49.0 t -73.83 -32.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.66 -45.22 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.185 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.78 -36.84 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.025 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -86.3 1.57 50.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' B' ' 23' ' ' VAL . 16.2 t-20 -71.71 -26.03 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -89.38 -7.24 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.967 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -50.06 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.139 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.483 ' OG1' ' OD2' ' B' ' 69' ' ' ASP . 1.9 m -171.51 17.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.695 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 76.3 p -136.52 2.92 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.66 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.4 OUTLIER 70.8 127.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.402 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 95.3 t -111.5 128.53 67.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.873 0.368 . . . . 0.0 110.763 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.76 121.65 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.135 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.81 121.38 40.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -116.2 138.48 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.457 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -152.83 109.73 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 73.87 24.58 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.63 -18.38 52.91 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -95.12 150.17 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.57 165.77 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.761 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 43' ' ' ASN . 16.2 m -111.3 172.38 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.8 t-20 -36.65 -54.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 168.76 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' B' ' 29' ' ' PHE . 19.2 pttt -140.84 11.03 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.434 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -59.24 140.42 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.459 HG23 ' HB1' ' B' ' 19' ' ' ALA . 13.1 mt -67.21 -51.11 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 14.9 mtt -61.53 -25.59 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.44 -35.55 90.27 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.79 -34.17 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -71.0 -31.61 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -61.75 -63.35 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.3 mt -98.03 63.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.88 161.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.625 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.37 -159.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.23 178.56 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.44 4.44 60.85 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.7 p -89.66 169.93 10.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.28 161.92 32.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.603 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.5 p -142.23 119.06 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.47 113.22 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 63' ' ' LEU . 2.9 pp -91.22 156.24 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.194 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 64' ' ' ILE . 9.8 mt -143.9 121.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.012 0.434 . . . . 0.0 111.168 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.84 116.38 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.536 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -108.32 97.82 7.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.627 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 165.55 -141.19 6.84 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.253 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' B' ' 70' ' ' GLU . 49.3 tt0 -113.67 -41.52 3.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.616 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.483 ' OD2' ' OG1' ' B' ' 30' ' ' THR . 0.9 OUTLIER -63.6 -0.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.188 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' B' ' 75' ' ' GLU . 16.7 tt0 -58.24 -47.57 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.682 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.24 -44.08 97.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.89 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 78' ' ' ALA . 11.0 mp -81.9 -46.58 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 28.1 tt0 -68.92 -66.25 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.2 -61.67 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.31 -26.26 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.595 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' B' ' 74' ' ' LEU . . . -63.77 -50.09 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.55 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.51 74.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -77.15 -44.74 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 54.9 t -72.33 -26.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.65 -14.47 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.96 97.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.19 159.86 33.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.586 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.658 ' H2 ' ' N ' ' B' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 61.7 t -158.76 161.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.042 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.6 pt20 -158.6 144.68 16.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.136 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.07 160.61 39.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -71.65 165.63 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.03 179.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.72 147.59 46.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -86.37 143.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 10' ' ' LEU . 50.4 ttt-85 -146.92 -15.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.5 mt -45.83 175.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.37 157.53 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.6 164.12 30.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 171.77 168.7 33.67 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.6 mt -40.51 136.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.31 -170.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.69 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 6.9 mpt_? -73.13 -53.96 4.62 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 40.2 Cg_endo -69.66 -24.24 30.33 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.004 1.803 . . . . 0.0 112.063 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.96 68.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.635 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.74 -49.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.799 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 21' ' ' LEU . 4.3 mm? -63.49 -35.08 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.89 -48.39 16.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ASN . 53.8 t -75.1 -34.08 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.168 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -51.99 -39.0 58.72 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.708 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.87 -45.12 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -18.32 56.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.007 0.432 . . . . 0.0 110.074 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' VAL . 27.0 t-20 -56.36 -26.37 52.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.106 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.37 5.15 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HG23 ' A' ' 33' ' ' VAL . 3.1 t80 -81.6 156.86 24.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.56 ' N ' ' OD2' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -91.9 17.13 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.7 OUTLIER 68.24 134.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.847 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 54.5 t -124.9 128.7 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.165 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 35.6 m-85 -145.3 121.75 11.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 35' ' ' LEU . 5.7 mp -102.35 154.71 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.134 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -148.43 152.62 37.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.729 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.9 ptmt -177.26 144.54 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 40' ' ' LYS . 44.0 t0 37.04 44.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.62 -22.41 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LYS . 46.5 mttp -68.93 149.38 48.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.5 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -146.38 143.89 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' ASN . 27.1 m -106.16 161.62 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 10.2 t-20 -38.07 -70.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.294 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 164.67 -27.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.434 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.74 49.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -127.97 145.92 50.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.64 -51.12 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.602 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 48' ' ' MET . 8.2 tpt -50.48 -29.5 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.3 -54.36 27.35 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.4 -33.52 75.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -73.15 -50.75 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.58 -166.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.9 -158.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 56' ' ' SER . 13.5 p -166.18 163.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -123.99 175.3 7.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 56' ' ' SER . 24.4 m -76.78 127.14 32.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.88 -7.46 81.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.7 m -63.86 164.85 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.621 ' N ' HG22 ' A' ' 59' ' ' THR . 12.4 pt-20 -127.56 158.76 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 61' ' ' VAL . 7.5 p -137.64 117.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.62 148.34 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -128.71 144.8 51.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.435 HG23 HE22 ' B' ' 3' ' ' GLN . 75.8 mt -130.48 116.84 37.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 0.0 110.813 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -149.11 114.67 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.737 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -140.86 142.16 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.026 0.441 . . . . 0.0 110.697 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.762 ' N ' ' H2 ' ' B' ' 1' ' ' MET . . . 143.01 -104.75 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' GLU . 92.6 mt-10 -144.14 -44.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -73.87 26.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -72.61 21.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' ' 69' ' ' ASP . 20.2 tt0 -75.15 -55.4 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -58.73 -31.41 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -61.33 -54.67 40.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 110.76 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.764 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.0 mp -82.68 -42.91 17.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.38 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -65.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 73' ' ' ALA . 7.2 mt -50.12 -52.57 33.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.691 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.8 -46.81 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.491 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.712 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.69 -52.63 35.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.7 -35.04 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' GLU . 38.4 tt0 -59.3 -16.54 22.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' GLN . 50.2 tp10 37.8 79.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.01 -175.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.596 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.762 ' H2 ' ' N ' ' A' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.566 HG12 ' N ' ' B' ' 3' ' ' GLN . 63.2 t -158.8 161.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.996 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.566 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.6 pt20 -158.9 144.48 16.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.099 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -141.97 160.49 40.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.37 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -71.39 165.56 23.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.615 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -150.04 179.16 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.82 147.53 46.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -86.38 143.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' B' ' 10' ' ' LEU . 50.0 ttt-85 -146.79 -15.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' B' ' 9' ' ' ARG . 11.6 mt -45.67 175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.54 157.51 18.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.56 164.25 29.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 171.75 168.78 33.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 14' ' ' LEU . 6.7 mt -40.6 136.14 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.532 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.45 -170.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.73 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 6.9 mpt_? -72.99 -54.03 4.72 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 40.8 Cg_endo -69.61 -24.17 30.65 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.023 1.815 . . . . 0.0 112.14 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.98 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -48.98 27.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.733 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 21' ' ' LEU . 4.3 mm? -63.58 -34.95 78.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.93 -48.42 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 27' ' ' ASN . 53.9 t -75.1 -34.2 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.206 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -51.85 -38.99 58.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.736 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.83 -45.22 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.599 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.23 56.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' B' ' 23' ' ' VAL . 27.0 t-20 -56.33 -26.37 52.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.081 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.45 5.19 51.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.5 ' CD2' HG23 ' B' ' 33' ' ' VAL . 3.1 t80 -81.59 156.84 24.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' ' OD2' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -91.86 17.11 9.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.435 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.7 OUTLIER 68.27 134.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.861 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 55.9 t -125.06 128.7 73.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.128 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' B' ' 44' ' ' ALA . 35.5 m-85 -145.2 121.75 11.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' N ' HD12 ' B' ' 35' ' ' LEU . 5.7 mp -102.2 154.83 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.112 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -148.46 152.67 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' B' ' 40' ' ' LYS . 1.9 ptmt -177.35 144.57 0.41 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' LYS . 44.2 t0 37.08 44.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.7 -22.33 0.71 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' B' ' 37' ' ' LYS . 46.5 mttp -68.92 149.55 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -146.45 143.96 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.725 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' B' ' 43' ' ' ASN . 26.7 m -106.35 161.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.646 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 10.2 t-20 -37.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.351 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 164.7 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.55 49.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.495 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -128.02 145.92 50.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.64 -51.07 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.42 ' O ' ' OG ' ' B' ' 52' ' ' SER . 8.1 tpt -50.54 -29.48 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.33 -54.32 27.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.43 -33.52 75.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 35.7 ttp -68.79 -20.84 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 48' ' ' MET . 20.1 m -73.17 -50.68 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.66 -166.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.92 -158.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' B' ' 56' ' ' SER . 13.6 p -166.13 163.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' B' ' 55' ' ' VAL . 2.7 t -124.06 175.35 7.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.467 ' N ' ' OG ' ' B' ' 56' ' ' SER . 24.3 m -76.74 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.49 -7.11 82.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.605 HG22 ' N ' ' B' ' 60' ' ' GLU . 52.6 m -64.03 164.89 9.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.605 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -127.53 158.7 36.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 61' ' ' VAL . 7.2 p -137.61 117.46 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.57 148.33 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -128.74 144.75 51.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.421 HG23 HE22 ' A' ' 3' ' ' GLN . 75.2 mt -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.064 0.459 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.517 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -149.19 114.61 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.787 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.42 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 43.9 tt0 -140.71 142.08 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.79 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.658 ' N ' ' H2 ' ' A' ' 1' ' ' MET . . . 143.09 -104.8 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 70' ' ' GLU . 92.8 mt-10 -144.13 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.441 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' B' ' 31' ' ' SER . 0.6 OUTLIER -73.86 26.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 68' ' ' GLU . 0.2 OUTLIER -72.8 22.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' B' ' 69' ' ' ASP . 20.5 tt0 -75.21 -55.35 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.78 -31.41 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -61.28 -54.62 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.75 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 9.9 mp -82.76 -42.96 17.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.192 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -65.26 0.98 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 73' ' ' ALA . 7.2 mt -50.03 -52.6 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.645 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.93 -46.68 81.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.521 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.36 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -67.48 -52.63 36.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.661 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.76 -34.98 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' B' ' 83' ' ' GLU . 38.3 tt0 -59.33 -16.42 22.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' B' ' 82' ' ' GLN . 50.3 tp10 37.63 80.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -71.09 -175.7 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.573 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 3' ' ' GLN . 68.9 t -150.18 164.58 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.593 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.8 pt20 -170.8 119.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 63' ' ' LEU . 52.9 mt-30 -142.27 139.03 31.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -84.62 154.15 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.9 m -150.2 177.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -116.24 147.55 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.37 131.48 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -140.02 -87.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt 43.16 -116.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.8 163.24 34.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.16 167.54 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 140.2 145.56 4.68 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -35.0 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.909 0.385 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.56 -165.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -83.8 -25.86 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 mtt-85 -65.96 -54.96 24.22 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 38.1 Cg_endo -69.53 -41.98 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.072 1.848 . . . . 0.0 112.08 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.25 75.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.803 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.44 -34.51 78.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.62 -45.18 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 54.2 t -70.1 -31.8 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -69.18 -45.64 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.679 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 29' ' ' PHE . . . -73.63 -26.13 60.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -54.85 -23.96 20.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 56.2 mtt180 -94.81 -0.55 54.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.881 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 26' ' ' ALA . 62.2 m-85 -149.39 132.96 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.37 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.4 t -69.19 -33.79 73.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.72 87.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' THR . 22.2 m-20 -45.65 132.01 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.643 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 2.9 t -106.02 128.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.12 150.24 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.514 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -139.95 130.09 25.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.209 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -129.41 144.33 51.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.502 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.17 120.51 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' ASP . 11.4 t0 66.96 20.49 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.62 -22.4 21.12 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -75.15 103.59 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -95.48 143.29 26.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.12 -179.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.605 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 20.1 t-20 -47.84 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 167.4 -20.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 10.2 pttp -177.96 -8.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 45' ' ' LYS . 13.2 m -55.5 127.05 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -54.68 -35.18 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 mtt -56.0 -42.85 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.74 61.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 50' ' ' LEU . 11.0 mp -82.39 -49.62 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -48.93 -28.73 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 m -75.66 -52.58 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.528 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -91.43 -163.28 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.01 178.65 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.62 179.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.72 151.15 30.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -50.91 125.39 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.44 -6.74 53.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 60' ' ' GLU . 29.5 m -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' N ' HG22 ' A' ' 59' ' ' THR . 32.4 mt-10 -131.72 175.13 9.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.94 139.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -83.98 99.77 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 64' ' ' ILE . 5.0 tt -88.54 117.43 27.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.666 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.3 mt -127.44 116.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.888 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -120.41 116.48 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -107.33 104.31 13.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.7 171.05 39.24 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.223 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -80.74 -44.56 18.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.397 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.6 m-20 -92.62 29.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.318 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.89 8.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.508 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' A' ' 69' ' ' ASP . 25.4 tt0 -50.65 -33.14 21.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 2.3 pp20? -51.32 -38.53 53.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.021 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -64.85 -46.22 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 2.2 mt -81.59 -44.07 17.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.964 0.411 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.32 -66.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.56 -68.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 77' ' ' LEU . 11.1 mp -50.21 -51.65 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.58 -30.69 63.47 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.33 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.56 32.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.346 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.3 -44.3 88.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.244 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.34 -19.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -66.55 -4.24 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' VAL . 69.8 tt0 54.08 102.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -45.88 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLU . 88.9 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.603 HG12 ' N ' ' B' ' 3' ' ' GLN . 68.7 t -150.19 164.53 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.603 ' N ' HG12 ' B' ' 2' ' ' VAL . 12.7 pt20 -170.8 119.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.608 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 63' ' ' LEU . 52.8 mt-30 -142.27 138.92 31.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.495 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -84.56 154.2 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 m -150.19 178.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.691 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.3 147.54 41.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.38 131.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -139.9 -87.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt 43.1 -116.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.88 163.17 34.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.11 167.58 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.712 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 14' ' ' LEU . . . 140.15 145.73 4.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.626 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -35.02 148.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.593 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.52 -165.17 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 20' ' ' ALA . . . -83.74 -25.86 30.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.456 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 8.7 mtt-85 -65.96 -54.89 24.71 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_endo -69.56 -41.95 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.086 1.858 . . . . 0.0 112.157 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -33.4 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.819 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 16' ' ' ALA . . . -66.28 -39.72 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.775 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.39 -34.55 78.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.61 -45.15 13.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 54.5 t -70.16 -31.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.49 -24.86 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.59 ' N ' ' OE1' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -69.25 -45.7 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 29' ' ' PHE . . . -73.59 -26.1 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.401 ' O ' ' OD1' ' B' ' 27' ' ' ASN . 54.7 t-20 -54.94 -23.83 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.031 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' B' ' 29' ' ' PHE . 56.0 mtt180 -95.02 -0.38 53.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.856 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' B' ' 26' ' ' ALA . 61.9 m-85 -149.41 132.93 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 111.42 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.591 ' O ' ' N ' ' B' ' 32' ' ' ASP . 1.4 t -69.17 -33.82 73.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.74 87.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' THR . 22.3 m-20 -45.8 132.18 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 2.9 t -106.15 128.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.18 150.16 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.503 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -139.77 130.16 25.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -129.63 144.33 51.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.47 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.16 120.65 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' B' ' 38' ' ' ASP . 11.2 t0 66.81 20.5 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.73 -22.46 21.23 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -75.12 103.48 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -95.47 143.49 26.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.21 -179.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 20.2 t-20 -47.78 -62.54 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 167.57 -20.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 10.2 pttp -178.02 -7.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.431 ' H ' ' H ' ' B' ' 45' ' ' LYS . 13.0 m -55.56 126.9 27.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.48 -35.22 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 42.2 mtt -56.08 -42.7 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.77 61.49 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 50' ' ' LEU . 11.0 mp -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -49.08 -28.72 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -75.53 -52.67 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 mt -91.43 -163.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.73 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.64 179.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.68 151.36 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.8 p -51.09 125.46 13.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.28 -6.64 53.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' N ' ' B' ' 60' ' ' GLU . 30.5 m -82.88 163.3 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 110.516 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.588 ' N ' HG22 ' B' ' 59' ' ' THR . 32.2 mt-10 -131.75 175.05 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.79 139.61 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -84.16 100.0 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.672 ' C ' HD23 ' B' ' 63' ' ' LEU . 5.0 tt -88.7 117.21 27.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.663 ' N ' HD23 ' B' ' 63' ' ' LEU . 3.2 mt -127.23 116.81 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -120.46 116.5 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.798 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.409 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 9.0 pt20 -107.33 104.42 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.392 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.45 170.87 38.87 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.56 -44.52 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.5 m-20 -92.58 29.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.346 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.84 8.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' B' ' 69' ' ' ASP . 25.3 tt0 -50.66 -33.14 21.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.621 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 73' ' ' ALA . 2.3 pp20? -51.21 -38.61 53.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.027 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' B' ' 72' ' ' GLU . . . -64.7 -46.29 82.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.723 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.777 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 2.0 mt -81.59 -43.94 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.974 0.416 . . . . 0.0 111.52 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.36 -66.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.57 -68.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.511 HD12 ' N ' ' B' ' 77' ' ' LEU . 11.2 mp -50.18 -51.69 41.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.65 -30.85 63.79 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.27 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.07 -45.69 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.398 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.22 -44.25 88.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.299 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.38 -18.91 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -66.59 -4.26 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 85' ' ' VAL . 69.7 tt0 54.08 102.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -46.05 91.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 83' ' ' GLU . 89.9 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.869 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.573 ' N ' ' OE1' ' B' ' 70' ' ' GLU . 21.3 t -150.28 129.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.437 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.55 HE22 HG12 ' B' ' 64' ' ' ILE . 2.1 pt20 -140.38 146.38 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.26 159.08 42.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.453 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.28 162.25 29.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.29 179.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 53.6 mt-10 -122.51 153.96 38.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' ' HA ' ' B' ' 60' ' ' GLU . 84.2 t -95.87 111.81 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.23 -1.28 16.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.603 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -51.07 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.48 137.9 31.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.57 130.1 36.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.57 -177.4 40.07 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 8.8 mt -50.62 147.36 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -84.54 -167.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.507 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.24 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 mtt-85 -76.02 -50.0 3.19 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.912 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.7 Cg_exo -56.55 -41.35 76.89 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.277 1.985 . . . . 0.0 111.878 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.95 84.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.36 86.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.22 -26.72 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.65 -48.15 82.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . 35.6 t -71.16 -32.7 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.484 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -51.95 -49.26 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.0 109.934 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.41 -36.76 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.92 -18.67 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.344 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' VAL . 46.5 t-20 -50.62 -24.13 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 110.076 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 30' ' ' THR . 96.9 mtt-85 -98.37 21.79 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.617 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CG ' ' NZ ' ' A' ' 45' ' ' LYS . 18.7 p90 -36.86 125.75 0.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.227 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.3 p -131.48 3.2 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.653 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 66' ' ' GLN . 1.2 t -153.5 -1.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.323 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER 76.22 131.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.6 t -113.6 128.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.455 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 44' ' ' ALA . 25.6 m-85 -136.79 122.32 19.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.5 mt -100.28 137.04 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.431 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.65 143.93 50.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.18 111.98 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 57.25 25.92 11.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.73 -19.0 56.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.14 112.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.29 153.59 23.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.543 ' C ' ' H ' ' A' ' 44' ' ' ALA . 1.5 m -117.23 170.58 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.332 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -69.82 38.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 59.44 -94.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.681 ' NZ ' ' CG ' ' A' ' 29' ' ' PHE . 14.2 pttt -110.9 75.25 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 3.5 p -134.28 127.57 32.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.58 -42.17 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.2 mtm -70.28 -40.55 74.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . -53.15 -57.72 14.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -46.89 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.3 ttt -51.95 -43.75 63.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -58.3 -36.12 72.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.39 133.71 48.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.78 110.07 15.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.94 164.16 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -120.75 169.87 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 57' ' ' THR . 13.8 p -59.15 129.3 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.87 -21.83 37.13 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 60' ' ' GLU . 39.8 m -65.09 169.61 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.656 ' N ' HG22 ' A' ' 59' ' ' THR . 12.5 pt-20 -136.25 167.39 21.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.69 137.77 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 m -87.73 100.53 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 8.2 tt -82.78 145.56 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.0 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.559 HG12 HE22 ' B' ' 3' ' ' GLN . 28.8 mt -131.94 116.8 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 111.084 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -139.03 115.01 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.842 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' OG ' ' A' ' 31' ' ' SER . 69.6 mt-30 -136.09 130.95 34.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.672 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.893 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 155.36 166.11 15.12 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 26.2 tp10 -72.68 69.74 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 110.818 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 71' ' ' GLN . 2.9 m-20 175.24 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.655 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 2' ' ' VAL . 7.4 pt-20 29.52 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.143 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 69' ' ' ASP . 31.1 tt0 -75.0 -52.46 11.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.659 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 19.9 mp0 -63.21 -33.58 75.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -57.8 -54.64 44.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.646 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.762 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 35.1 mt -82.95 -43.16 16.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 29.1 tt0 -69.44 -66.49 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.34 -64.34 1.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 6.2 mt -50.36 -52.23 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.754 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.86 -31.93 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.561 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.97 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -74.34 -34.4 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 55.9 t -68.62 -15.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 84' ' ' GLU . 81.0 mt-30 -119.64 69.27 0.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 82' ' ' GLN . 48.4 mt-10 -36.37 94.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.564 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' GLN . 15.9 tp10 -174.41 77.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.893 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.578 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 21.3 t -150.18 129.39 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.559 HE22 HG12 ' A' ' 64' ' ' ILE . 2.2 pt20 -140.05 146.49 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.078 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.29 159.19 42.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -71.4 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.51 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.24 179.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.545 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.517 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 53.5 mt-10 -122.5 154.11 38.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.402 ' H ' ' HA ' ' A' ' 60' ' ' GLU . 84.1 t -95.99 111.75 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.27 -1.28 16.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.15 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.47 137.8 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.49 130.24 36.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.79 -177.52 40.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 14' ' ' LEU . 8.8 mt -50.53 147.34 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -84.54 -167.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -19.19 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 5.3 mtt-85 -76.11 -50.07 3.1 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.945 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.4 Cg_exo -56.41 -41.58 74.71 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.388 2.059 . . . . 0.0 111.835 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.21 85.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.51 87.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.08 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.57 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 27' ' ' ASN . 34.7 t -71.17 -32.68 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -51.89 -49.36 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 109.932 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.3 -36.72 83.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.909 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.02 -18.62 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.305 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' B' ' 23' ' ' VAL . 46.4 t-20 -50.63 -24.03 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 110.125 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.438 ' O ' HG23 ' B' ' 30' ' ' THR . 96.9 mtt-85 -98.47 21.72 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.683 ' CG ' ' NZ ' ' B' ' 45' ' ' LYS . 18.5 p90 -36.86 125.73 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.438 HG23 ' O ' ' B' ' 28' ' ' ARG . 2.4 p -131.48 3.23 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 66' ' ' GLN . 1.2 t -153.51 -1.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.316 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' B' ' 31' ' ' SER . 1.0 OUTLIER 76.21 131.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.733 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 14.3 t -113.62 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' B' ' 44' ' ' ALA . 25.8 m-85 -136.77 122.19 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.386 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -100.07 137.13 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.73 143.95 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.19 111.97 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 57.3 25.79 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.86 -18.93 56.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.23 112.33 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.25 153.44 23.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' B' ' 44' ' ' ALA . 1.5 m -117.23 170.52 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.8 38.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 59.51 -94.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.683 ' NZ ' ' CG ' ' B' ' 29' ' ' PHE . 14.2 pttt -110.93 75.35 0.92 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 49' ' ' GLY . 3.5 p -134.36 127.47 31.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.55 -42.13 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 41.4 mtm -70.49 -40.36 73.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.664 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' B' ' 46' ' ' SER . . . -53.23 -57.64 14.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.68 -46.85 87.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -52.06 -43.6 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 m -58.33 -36.06 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.53 133.68 47.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.71 109.99 15.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.88 164.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.9 p -120.83 169.79 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -59.02 129.21 41.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 -21.83 37.08 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.662 HG22 ' N ' ' B' ' 60' ' ' GLU . 39.1 m -65.11 169.67 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.662 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -136.28 167.4 21.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.65 137.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -87.73 100.52 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.76 145.48 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.049 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.55 HG12 HE22 ' A' ' 3' ' ' GLN . 28.8 mt -131.81 116.76 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.439 . . . . 0.0 111.134 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.519 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -138.95 114.9 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.849 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.456 ' N ' ' OG ' ' B' ' 31' ' ' SER . 69.6 mt-30 -135.96 130.98 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.869 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 155.32 165.98 14.92 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' B' ' 69' ' ' ASP . 26.2 tp10 -72.59 69.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 71' ' ' GLN . 2.9 m-20 175.17 -71.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.672 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' A' ' 2' ' ' VAL . 7.5 pt-20 29.56 33.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.12 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' B' ' 69' ' ' ASP . 31.0 tt0 -75.1 -52.46 10.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.538 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.0 mp0 -63.19 -33.54 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -57.73 -54.65 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 34.7 mt -82.88 -43.23 16.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.369 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 29.0 tt0 -69.43 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.26 -64.36 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 73' ' ' ALA . 6.1 mt -50.41 -52.24 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.772 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.77 -32.05 65.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.543 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.99 -41.08 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -74.15 -34.6 63.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 55.9 t -68.37 -15.55 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.484 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' B' ' 84' ' ' GLU . 81.0 mt-30 -119.48 69.4 0.83 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 82' ' ' GLN . 48.9 mt-10 -36.41 94.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 82' ' ' GLN . 16.0 tp10 -174.41 77.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.682 ' CB ' ' H ' ' B' ' 67' ' ' GLY . 6.3 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 59.1 t -158.26 161.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.46 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 3.6 pt20 -166.87 143.58 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -142.17 167.48 22.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -71.12 157.08 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.17 171.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.6 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -118.74 140.19 50.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 t -72.74 142.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -152.8 -3.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.2 mp -49.81 164.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.77 160.83 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -143.81 148.17 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.72 -166.24 36.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.77 154.6 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.8 -36.17 14.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -63.01 -49.34 81.91 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.027 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.9 Cg_exo -56.21 -42.49 65.65 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.101 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.25 82.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.48 99.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 35' ' ' LEU . 57.5 t80 -46.04 -43.02 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.7 t -73.12 -34.21 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -60.05 -26.51 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -45.5 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.13 -26.37 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -49.86 -29.75 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.68 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -93.06 -11.52 32.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.287 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' ALA . 90.4 m-85 -138.68 114.52 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.575 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ASP . 24.5 p -90.67 37.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 32' ' ' ASP . 20.5 p -75.19 14.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 31' ' ' SER . 1.5 m-20 49.5 103.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 3.2 t -109.67 128.47 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.5 m-85 -132.94 121.81 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.637 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 13.2 mt -95.93 121.55 37.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.194 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' LYS . 19.1 tt0 -116.7 158.6 23.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.895 0.378 . . . . 0.0 110.787 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 pttp -178.89 131.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.19 23.93 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.81 -23.92 14.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.32 151.02 21.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -145.99 -179.49 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.75 174.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.514 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.702 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 t30 -43.16 -65.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 157.98 -28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' VAL . 16.6 pttt -179.79 54.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.85 142.65 49.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 47' ' ' ILE . 3.4 mt -65.79 -50.24 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.5 -23.37 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.09 -54.91 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.73 -28.11 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.56 -16.73 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -50.08 -61.25 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -161.18 -169.13 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.58 166.49 24.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.522 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 56' ' ' SER . 15.2 m -96.36 -149.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.493 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 55' ' ' VAL . 29.0 m -144.31 149.28 35.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' THR . 8.5 t -46.93 124.99 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.89 -29.92 10.52 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.1 m -62.42 137.05 58.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.447 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.92 160.08 15.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.72 136.98 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.9 m -88.01 115.69 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.33 144.86 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.487 HG23 HE22 ' B' ' 3' ' ' GLN . 76.8 mt -135.36 116.82 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -154.23 114.71 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.83 136.01 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.47 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.664 ' H ' ' CB ' ' B' ' 1' ' ' MET . . . 142.97 -168.66 25.94 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.7 59.83 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.79 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.84 2.37 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 75' ' ' GLU . 50.1 tt0 -51.81 -50.47 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.29 -47.15 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.487 -179.744 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -51.1 -54.73 22.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.12 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.8 tp -82.49 -48.27 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.805 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 71' ' ' GLN . 18.6 tt0 -69.21 -66.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -79.45 -64.96 1.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.0 tp -49.75 -47.52 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.32 -34.15 66.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.63 -32.84 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -77.23 -48.53 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 81' ' ' VAL . 55.1 t -59.14 -16.81 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 16.2 mt-30 -116.61 62.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.42 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLN . 29.5 mm-40 -36.75 96.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' GLN . 22.5 mt-10 -56.4 -179.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.575 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.664 ' CB ' ' H ' ' A' ' 67' ' ' GLY . 6.2 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.583 HG12 ' N ' ' B' ' 3' ' ' GLN . 58.5 t -158.16 162.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.583 ' N ' HG12 ' B' ' 2' ' ' VAL . 3.6 pt20 -167.55 143.4 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -142.15 167.36 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.06 157.07 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.12 171.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.89 140.14 50.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.66 142.86 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -153.02 -3.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.2 mp -49.83 164.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.78 160.82 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -143.86 148.08 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.86 -166.34 37.04 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.68 154.66 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.25 14.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.9 OUTLIER -62.98 -49.31 82.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.021 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.6 Cg_exo -56.19 -42.63 64.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.131 . . . . 0.0 112.028 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.1 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.56 98.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.72 -39.25 93.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' B' ' 35' ' ' LEU . 57.4 t80 -45.9 -43.01 13.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' B' ' 45' ' ' LYS . 60.3 t -73.14 -34.26 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -59.94 -26.7 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.63 -45.43 52.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -77.16 -26.4 53.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -49.87 -29.82 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.643 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -93.02 -11.49 32.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.351 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 26' ' ' ALA . 90.5 m-85 -138.6 114.47 9.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.405 ' C ' ' H ' ' B' ' 32' ' ' ASP . 24.1 p -90.69 37.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 32' ' ' ASP . 20.6 p -75.25 14.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 31' ' ' SER . 1.5 m-20 49.42 103.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t -109.67 128.58 65.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.196 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.5 m-85 -133.01 121.75 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.659 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' B' ' 22' ' ' PHE . 13.2 mt -96.02 121.46 37.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.175 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 37' ' ' LYS . 19.2 tt0 -116.6 158.51 23.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.869 0.366 . . . . 0.0 110.784 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 16.4 pttp -178.81 131.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 57.13 23.87 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 -23.99 14.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.28 151.05 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -146.05 -179.44 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.743 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.77 174.01 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.723 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 56.9 t30 -43.09 -65.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 43' ' ' ASN . . . 157.96 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.495 ' O ' HG22 ' B' ' 23' ' ' VAL . 16.7 pttt -179.72 54.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.86 142.66 49.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.75 -50.24 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.47 -23.46 25.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 -54.94 3.94 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.69 -28.21 68.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.48 -16.89 10.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -50.04 -61.37 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.581 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.477 HD12 ' C ' ' B' ' 53' ' ' LEU . 0.4 OUTLIER -161.1 -169.18 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.48 166.56 24.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 56' ' ' SER . 15.1 m -96.44 -149.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.473 ' N ' HG23 ' B' ' 55' ' ' VAL . 28.2 m -144.25 149.25 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' THR . . . . . 0.471 ' O ' HG23 ' B' ' 57' ' ' THR . 8.5 t -46.95 125.19 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.92 -30.16 10.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 29.6 m -62.44 137.04 58.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.525 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.91 160.01 15.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.65 137.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.1 m -88.14 115.78 25.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -89.35 144.67 25.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.173 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.519 HG23 HE22 ' A' ' 3' ' ' GLN . 76.7 mt -135.21 116.92 20.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.816 0.341 . . . . 0.0 110.81 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -154.34 114.62 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.307 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.79 136.32 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.682 ' H ' ' CB ' ' A' ' 1' ' ' MET . . . 142.76 -168.41 25.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.06 59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.734 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.624 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.76 2.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' B' ' 75' ' ' GLU . 50.0 tt0 -51.72 -50.49 60.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.31 -47.19 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.397 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' B' ' 72' ' ' GLU . . . -51.14 -54.6 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.108 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.8 tp -82.59 -48.21 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 0.0 111.788 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 71' ' ' GLN . 18.8 tt0 -69.26 -66.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -79.56 -64.84 1.09 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' B' ' 72' ' ' GLU . 2.0 tp -49.79 -47.44 51.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.34 -34.18 66.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.245 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.64 -32.75 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -77.14 -48.72 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.493 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.1 -16.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.436 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 84' ' ' GLU . 16.2 mt-30 -116.48 63.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 82' ' ' GLN . 29.4 mm-40 -36.87 96.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' B' ' 82' ' ' GLN . 22.3 mt-10 -56.46 -179.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.64 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 65' ' ' ALA . 19.9 m -145.34 174.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.271 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.17 119.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -142.52 142.01 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.79 160.27 29.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.29 179.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -123.18 159.29 28.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.71 146.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.47 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 10' ' ' LEU . 8.1 ttt85 -151.25 -4.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.7 mp -40.98 166.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.618 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.87 163.56 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -147.83 134.55 19.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.44 43.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.54 122.95 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' LEU . 75.9 mt-30 -51.82 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.98 -13.33 33.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.23 -49.76 3.06 Favored Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.006 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.0 Cg_exo -56.46 -44.03 49.83 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.413 2.075 . . . . 0.0 112.012 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.9 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.67 81.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.9 mp -77.09 -29.37 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -51.79 -46.59 64.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 42.5 t -75.25 -33.4 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.92 -49.48 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.669 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.81 -38.55 85.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -74.61 -23.08 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -49.79 -27.11 4.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.152 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -93.49 19.2 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -94.89 -162.28 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.471 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m -171.13 -2.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.002 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 15.3 p -95.43 -115.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 31' ' ' SER . 17.7 m-20 -160.85 135.66 7.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.142 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 58.5 t -106.02 137.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -145.78 121.65 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.7 118.06 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.646 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -119.37 125.48 49.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.7 142.17 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 40' ' ' LYS . 3.9 m-20 51.97 38.73 24.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.25 -12.29 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 38' ' ' ASP . 55.2 mttm -81.37 156.18 25.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.821 0.344 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -148.3 145.84 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.682 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' ASN . 12.5 m -116.3 159.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.2 m-20 -36.53 -45.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.342 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 165.53 -102.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 34.0 pttt -104.29 12.71 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.7 m -53.89 138.0 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.5 -54.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.2 mtm -65.21 -21.04 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.46 90.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.84 -53.82 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.344 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.4 -21.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.54 -48.0 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -86.29 -150.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 161.25 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.84 -172.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -149.51 177.11 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.553 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.521 ' N ' ' OG ' ' A' ' 56' ' ' SER . 5.5 m -72.73 127.05 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.24 -23.3 36.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 p -55.74 174.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -146.76 166.73 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.22 141.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.63 100.74 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.65 120.8 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.778 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.74 126.43 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.24 118.13 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.485 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.55 21.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.374 . . . . 0.0 110.665 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.52 -162.81 30.48 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 70' ' ' GLU . 19.9 tt0 -95.67 -47.88 6.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 2.5 m-20 -63.7 4.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.384 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.5 pp20? -59.27 0.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 7.1 tt0 -54.67 -54.64 39.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.751 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -51.64 -25.74 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.47 -54.84 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.1 mt -82.68 -35.61 26.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.309 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.79 -66.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.07 -62.37 1.58 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.19 -35.5 26.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.41 -50.31 47.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.654 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.27 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -72.48 -54.04 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.641 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.2 t -60.16 -14.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.52 -0.12 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 42.55 38.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.06 143.82 25.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.533 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' ALA . 19.8 m -145.28 174.5 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.299 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.15 119.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -142.47 142.01 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.52 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.82 160.17 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.23 179.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -123.08 159.26 28.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.64 146.14 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' B' ' 10' ' ' LEU . 8.0 ttt85 -151.22 -4.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.508 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.7 mp -40.73 166.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.9 163.59 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -147.8 134.59 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.34 43.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.666 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -86.57 122.94 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 110.587 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LEU . 75.8 mt-30 -51.81 -168.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.01 -13.41 33.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -76.24 -49.8 3.04 Favored Pre-proline 0 CA--C 1.531 0.24 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.964 -179.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.4 Cg_exo -56.48 -44.03 49.77 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.445 2.097 . . . . 0.0 111.989 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.93 69.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 21' ' ' LEU . 10.8 mp -77.06 -29.39 55.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.79 -46.6 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 42.5 t -75.26 -33.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.999 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.96 -49.51 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.83 -38.49 85.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -74.57 -23.18 58.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 0.0 110.392 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -49.72 -27.26 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -93.39 19.08 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -94.83 -162.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.7 m -171.13 -2.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.025 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' B' ' 32' ' ' ASP . 14.7 p -95.43 -115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' SER . 17.8 m-20 -160.82 135.7 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 59.1 t -105.99 137.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 110.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.76 121.64 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.59 118.06 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.38 125.57 49.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.74 142.24 21.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 40' ' ' LYS . 3.9 m-20 51.89 38.8 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.14 -12.28 1.22 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' B' ' 38' ' ' ASP . 55.3 mttm -81.39 156.14 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -148.22 145.91 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' B' ' 43' ' ' ASN . 12.2 m -116.38 159.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.1 m-20 -36.68 -45.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.179 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 165.6 -102.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 34.2 pttt -104.24 12.68 33.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 75.8 m -53.81 137.99 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.42 -54.47 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 27.3 mtm -65.15 -21.14 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.13 -47.53 90.63 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.79 -53.84 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.463 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.41 -21.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.55 -47.88 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.588 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.19 -150.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.498 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.63 161.25 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.81 -172.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 57' ' ' THR . 1.0 OUTLIER -149.56 177.14 10.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.511 ' N ' ' OG ' ' B' ' 56' ' ' SER . 5.4 m -72.62 127.08 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.1 -23.3 36.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -55.63 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.631 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.88 166.59 26.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.14 141.35 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.338 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.65 100.68 12.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.62 120.85 32.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.77 126.34 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.118 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.17 118.22 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.471 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.47 21.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.698 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.49 -162.77 30.45 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.263 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' B' ' 70' ' ' GLU . 20.0 tt0 -95.67 -47.86 6.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 2.5 m-20 -63.87 4.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -59.35 0.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.542 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 69' ' ' ASP . 7.1 tt0 -54.77 -54.57 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.73 -25.73 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.44 -54.88 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.963 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 15.3 mt -82.62 -35.72 26.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.908 0.385 . . . . 0.0 111.255 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.83 -66.22 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.08 -62.46 1.56 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.16 -35.49 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.729 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.31 -50.3 47.9 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.758 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.21 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.677 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.59 -54.0 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.44 ' O ' HG12 ' B' ' 81' ' ' VAL . 53.1 t -60.25 -14.67 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.57 -0.05 41.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' O ' ' B' ' 67' ' ' GLY . 41.0 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.607 ' H ' ' CD ' ' B' ' 70' ' ' GLU . 9.5 t -148.48 129.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' B' ' 65' ' ' ALA . 18.3 pt20 -144.43 143.66 31.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.667 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -142.39 142.45 32.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' A' ' 6' ' ' VAL . 13.2 ttmm -66.39 162.44 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.326 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 2.7 m -147.46 179.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.701 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -125.37 140.62 52.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.45 134.22 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.656 ' NH2' ' NE2' ' B' ' 82' ' ' GLN . 15.6 ttp180 -145.24 8.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.08 -178.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.37 168.01 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -150.4 158.82 44.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.498 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 176.94 158.3 19.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.53 141.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -67.87 -162.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -41.67 11.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.2 mtt-85 -56.04 -49.45 93.01 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.907 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.7 Cg_exo -55.99 -38.03 95.29 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.379 2.053 . . . . 0.0 111.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.01 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.13 -33.78 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.99 -28.87 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.59 -41.6 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 27' ' ' ASN . 54.7 t -74.22 -34.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -52.41 -49.02 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.9 -36.89 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -18.72 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 23' ' ' VAL . 56.3 t30 -53.07 -21.92 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' PHE . 87.5 mtt180 -96.14 16.05 19.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.804 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD2' ' N ' ' A' ' 30' ' ' THR . 29.0 p90 -34.06 -63.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.129 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 1.8 m 41.73 17.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.234 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 29' ' ' PHE . 87.7 p -152.29 -7.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 76.07 114.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 23.3 t -112.73 128.65 69.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.33 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.3 m-85 -133.49 121.79 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.727 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.21 117.89 30.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.129 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.59 149.41 34.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.887 0.375 . . . . 0.0 110.76 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 67.3 tttt -164.21 101.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 8.6 t0 75.61 35.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.86 -21.5 7.72 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.12 143.07 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.34 167.6 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ASN . 2.0 m -103.73 175.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.427 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.688 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 54.1 t-20 -40.49 -65.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 158.98 -23.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.522 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.33 63.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.79 143.29 48.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.451 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.75 -57.22 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.72 -24.51 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.89 88.83 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.01 -36.51 72.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mmt -54.01 -45.3 71.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 p -62.78 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 tt -91.56 107.92 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 53' ' ' LEU . . . -100.48 148.32 24.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.464 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.18 -163.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' HG21 ' A' ' 59' ' ' THR . 2.8 m -154.14 175.88 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.28 134.72 52.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.36 -8.82 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.413 HG21 ' H ' ' A' ' 56' ' ' SER . 77.0 p -75.85 172.66 12.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -142.81 158.78 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 61' ' ' VAL . 4.8 p -141.63 122.9 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.531 ' OG1' ' NZ ' ' B' ' 5' ' ' LYS . 60.7 m -76.27 104.6 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.24 142.77 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.75 116.66 46.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -145.86 114.94 7.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.082 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -126.84 119.26 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.523 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 159.37 -156.07 27.18 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -101.62 -51.94 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.9 m-20 -73.02 3.34 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.6 ' CD ' ' H ' ' B' ' 2' ' ' VAL . 15.1 pt-20 -60.04 1.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.401 . . . . 0.0 110.362 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 69' ' ' ASP . 19.5 tt0 -50.68 -48.66 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.479 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -51.64 -25.78 7.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.5 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.6 mt -82.52 -36.11 26.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.306 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.94 -66.16 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.05 -63.16 1.4 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.0 -34.71 22.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.27 -41.67 76.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.61 -31.66 53.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.89 -46.65 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.32 -25.84 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.671 ' NE2' ' NH2' ' B' ' 9' ' ' ARG . 16.3 mm100 -95.72 25.29 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 59.83 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.91 144.89 47.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 41.1 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.6 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 9.4 t -148.51 129.61 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.458 ' HB3' ' H ' ' A' ' 65' ' ' ALA . 18.3 pt20 -144.37 143.63 31.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.709 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -142.29 142.4 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.635 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.531 ' NZ ' ' OG1' ' A' ' 62' ' ' THR . 13.3 ttmm -66.29 162.51 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.52 ' N ' ' CG ' ' B' ' 5' ' ' LYS . 2.7 m -147.48 179.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -125.33 140.64 52.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.44 134.26 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.671 ' NH2' ' NE2' ' A' ' 82' ' ' GLN . 15.8 ttp180 -145.33 8.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.09 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -93.28 168.19 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.588 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.1 p -150.62 158.63 44.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 177.04 158.4 20.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.641 ' H ' HD12 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -40.6 141.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.04 -162.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 -41.69 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.2 mtt-85 -55.97 -49.52 92.54 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.942 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_exo -55.9 -37.97 95.2 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.39 2.06 . . . . 0.0 112.013 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.2 -35.93 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.14 -33.79 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.07 -29.02 57.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.466 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.4 -41.65 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' B' ' 27' ' ' ASN . 54.2 t -74.22 -34.78 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.48 -49.13 65.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -71.69 -36.9 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.65 58.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' B' ' 23' ' ' VAL . 56.3 t30 -53.13 -21.97 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 29' ' ' PHE . 87.5 mtt180 -96.04 15.96 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.84 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' B' ' 30' ' ' THR . 29.1 p90 -33.92 -63.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.653 ' N ' ' CD2' ' B' ' 29' ' ' PHE . 1.7 m 41.83 17.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.231 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.588 ' N ' ' O ' ' B' ' 29' ' ' PHE . 87.9 p -152.29 -7.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.035 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' B' ' 32' ' ' ASP . 0.3 OUTLIER 75.99 114.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.671 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.744 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 23.3 t -112.79 128.69 69.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.293 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.6 m-85 -133.5 121.82 22.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.19 117.81 30.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.58 149.38 34.58 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.907 0.384 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 67.1 tttt -164.18 101.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' B' ' 37' ' ' LYS . 8.7 t0 75.72 35.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.98 -21.53 7.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -92.07 143.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.4 167.54 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.76 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.708 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 54.2 t-20 -40.41 -65.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 158.8 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.31 63.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 143.26 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.445 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -59.71 -57.18 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.58 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.96 88.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.98 -36.53 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -54.01 -45.2 71.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.5 p -62.96 -39.92 96.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.593 HD23 ' C ' ' B' ' 53' ' ' LEU . 3.1 tt -91.52 107.93 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.518 ' N ' HD23 ' B' ' 53' ' ' LEU . . . -100.42 148.29 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.21 -163.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.412 ' H ' HG21 ' B' ' 59' ' ' THR . 2.8 m -154.1 175.84 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.19 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.15 -8.8 72.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.412 HG21 ' H ' ' B' ' 56' ' ' SER . 76.7 p -76.01 172.65 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -142.74 158.85 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.535 ' O ' HG13 ' B' ' 61' ' ' VAL . 4.7 p -141.67 122.88 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . 0.507 ' OG1' ' NZ ' ' A' ' 5' ' ' LYS . 61.0 m -76.29 104.67 6.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.22 142.73 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.66 116.65 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.348 . . . . 0.0 110.61 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -145.89 114.86 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -126.81 119.29 26.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 159.47 -156.15 27.28 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -101.67 -51.82 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.9 m-20 -73.07 3.44 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 2' ' ' VAL . 15.1 pt-20 -60.3 1.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' B' ' 69' ' ' ASP . 19.5 tt0 -50.85 -48.58 59.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -51.75 -25.68 8.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.54 -54.62 21.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.615 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.7 mt -82.47 -36.02 26.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.824 0.345 . . . . 0.0 111.248 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -70.03 -66.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -49.94 -34.69 21.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.23 -41.83 76.48 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.477 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.49 -31.52 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.1 -46.44 61.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.47 -25.84 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.656 ' NE2' ' NH2' ' A' ' 9' ' ' ARG . 16.4 mm100 -95.68 25.36 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.587 ' N ' ' O ' ' B' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.701 HG12 ' N ' ' A' ' 3' ' ' GLN . 42.9 t -148.71 172.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.701 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.6 pt20 179.69 132.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.27 127.11 18.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.06 150.99 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.03 166.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -96.67 150.79 20.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' C ' ' B' ' 60' ' ' GLU . 51.2 t -80.98 145.5 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' LEU . 31.7 ttm180 -151.69 -79.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ARG . 21.4 mt 36.2 -133.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' HD23 ' B' ' 14' ' ' LEU . 88.1 mttt -136.8 146.03 45.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 p -123.74 165.25 17.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 163.27 165.8 21.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 11' ' ' LYS . 59.2 mt -42.31 153.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.8 -164.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.94 -21.03 21.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.05 -49.46 3.29 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.963 -179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.4 Cg_exo -56.23 -51.03 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.433 2.089 . . . . 0.0 111.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 -47.7 65.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.01 -26.87 62.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -56.17 -45.93 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . 42.7 t -75.22 -31.93 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -51.81 -46.12 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.958 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.67 -37.1 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.963 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -78.38 -19.94 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' VAL . 3.1 t30 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.0 19.87 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.675 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ALA . 38.9 p90 -39.75 134.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 t -148.77 8.44 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 66' ' ' GLN . 3.3 t -156.72 8.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.54 121.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.691 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.0 t -111.51 128.88 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.22 122.67 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.93 131.45 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -137.05 136.36 38.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -171.22 134.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 52.97 30.45 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.87 -12.74 34.31 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -71.31 148.12 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 43.3 tttp -145.66 163.15 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 4.4 m -145.2 175.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 14.2 t-20 -45.6 -65.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 161.29 -21.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.93 61.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -126.0 140.11 52.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.72 -41.16 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.31 -25.98 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.63 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.72 -53.31 28.38 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.95 -43.63 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.624 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.34 -49.65 76.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.3 m -49.81 -30.24 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.95 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.08 135.93 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.6 172.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.452 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.16 156.74 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 57' ' ' THR . 2.3 p -47.13 121.61 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.99 2.82 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.6 p -54.99 175.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.325 . . . . 0.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' C ' HG23 ' B' ' 8' ' ' VAL . 6.6 pt-20 -139.1 163.09 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.8 p -137.27 113.06 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -97.06 99.7 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.59 132.64 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 64' ' ' ILE . 12.7 mt -117.15 116.99 53.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -124.25 117.86 25.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.648 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.8 pt20 -117.01 117.53 29.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 174.34 -152.98 15.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 70' ' ' GLU . 5.0 mp0 -109.23 -32.71 7.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 71' ' ' GLN . 14.1 m-20 -90.66 -57.19 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.934 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 7.0 pm0 25.59 35.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.948 0.78 . . . . 0.0 111.283 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.72 5.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.236 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.28 -25.9 6.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.51 20.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.849 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.5 mt -82.47 -41.53 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.0 111.068 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.17 -52.2 30.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.01 0.5 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.1 mp -50.5 -53.49 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -57.15 -40.41 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.729 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.22 -34.88 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -76.99 -36.37 56.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.0 t -77.81 -12.5 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 4.8 tt0 -116.46 36.03 4.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 38.4 mt-10 37.53 82.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 40.21 -148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.0 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.706 HG12 ' N ' ' B' ' 3' ' ' GLN . 43.3 t -148.84 172.44 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.317 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.706 ' N ' HG12 ' B' ' 2' ' ' VAL . 9.6 pt20 179.49 132.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.745 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.3 127.05 18.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.02 150.87 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -150.01 166.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -96.61 150.95 20.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 60' ' ' GLU . 50.7 t -81.12 145.52 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 10' ' ' LEU . 31.8 ttm180 -151.72 -80.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 9' ' ' ARG . 21.4 mt 36.33 -133.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.526 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.1 mttt -136.9 145.9 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.1 p -123.7 165.25 17.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 163.38 165.83 21.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 11' ' ' LYS . 58.7 mt -42.37 152.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -87.68 -164.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.17 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -75.89 -49.48 3.42 Favored Pre-proline 0 CA--C 1.533 0.295 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.969 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.9 Cg_exo -56.1 -51.09 10.26 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.364 2.042 . . . . 0.0 112.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.17 89.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.11 -26.78 62.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.24 -45.97 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . 42.9 t -75.15 -31.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.772 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -51.8 -45.99 64.08 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.022 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.71 -37.17 86.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.007 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.41 -19.75 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' VAL . 3.1 t30 -49.82 -22.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.128 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.25 20.01 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.634 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 26' ' ' ALA . 38.9 p90 -39.88 134.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.949 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -148.71 8.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.925 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 66' ' ' GLN . 3.3 t -156.79 8.47 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.372 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.39 121.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 13.7 t -111.48 128.8 67.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.14 122.61 38.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.88 131.48 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.397 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -137.09 136.28 38.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.542 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -171.13 134.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 52.96 30.55 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 -12.71 34.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -71.44 148.13 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 43.6 tttp -145.59 163.18 35.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 4.4 m -145.3 175.5 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.626 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 14.0 t-20 -45.5 -65.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 161.35 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.88 61.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.501 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -125.94 140.05 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.549 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.69 -40.99 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.53 -25.92 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.49 27.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.85 -43.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' B' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -49.6 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -49.87 -30.23 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.88 2.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.93 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.53 172.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.14 156.88 41.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.443 ' H ' HG23 ' B' ' 57' ' ' THR . 2.3 p -47.27 121.52 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.93 2.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.9 p -54.96 175.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.529 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.45 ' C ' HG23 ' A' ' 8' ' ' VAL . 6.6 pt-20 -139.0 163.26 32.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.638 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.9 p -137.31 113.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.255 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -97.15 99.74 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.58 132.57 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.113 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mt -117.16 116.99 53.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -124.33 117.85 25.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.613 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.476 ' O ' ' OG ' ' B' ' 31' ' ' SER . 3.8 pt20 -116.96 117.64 30.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.674 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 174.19 -152.98 15.61 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' C ' ' OE2' ' B' ' 70' ' ' GLU . 5.0 mp0 -109.29 -32.85 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.499 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' B' ' 71' ' ' GLN . 14.2 m-20 -90.51 -57.21 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.955 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' B' ' 70' ' ' GLU . 7.2 pm0 25.61 35.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.921 0.763 . . . . 0.0 111.317 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.78 5.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.254 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.3 -25.95 6.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.55 20.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.679 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.848 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.4 mt -82.46 -41.46 19.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.024 0.44 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.21 -52.19 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 81' ' ' VAL . 9.1 mp -50.47 -53.37 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -57.25 -40.26 77.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.784 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.78 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -77.06 -36.41 55.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.471 ' O ' HG12 ' B' ' 81' ' ' VAL . 97.4 t -77.8 -12.42 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' B' ' 83' ' ' GLU . 4.8 tt0 -116.58 36.09 4.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 82' ' ' GLN . 38.6 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 3' ' ' GLN . 53.6 t -151.59 164.15 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.438 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.59 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.3 pt20 -179.86 119.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.43 128.36 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.54 155.5 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.13 176.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.639 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.32 137.82 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.464 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.69 132.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' LEU . 88.4 mtt180 -145.56 6.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ARG . 12.2 mt -50.13 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -78.28 179.55 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -146.56 169.48 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 168.63 176.22 38.72 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.19 130.43 35.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.485 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-30 -53.87 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.04 -19.91 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.7 mtp180 -76.12 -43.21 3.59 Favored Pre-proline 0 N--CA 1.466 0.366 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.879 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -57.14 -46.57 27.71 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.474 2.116 . . . . 0.0 112.198 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.688 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.37 72.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.66 -26.92 68.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.99 -60.17 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.222 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' ASN . 39.8 t -65.34 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.28 -43.79 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.732 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.43 -38.72 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -80.33 -17.78 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.1 t30 -53.6 -27.68 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.307 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 95.1 mtt180 -91.14 13.86 15.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.511 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -87.91 -161.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 2.0 m -167.39 -3.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.194 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -93.42 -126.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.69 139.78 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.171 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 62.2 t -109.57 139.17 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.894 0.378 . . . . 0.0 110.375 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -145.95 121.76 10.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.21 118.03 32.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.46 141.58 50.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.59 130.84 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 40' ' ' LYS . 5.7 m-20 49.43 40.35 18.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 -23.58 1.51 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 38' ' ' ASP . 38.0 mttm -73.82 125.75 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HZ2' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -132.81 136.59 46.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.452 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.5 m -100.22 169.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.494 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 29.0 t30 -41.53 -48.84 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 169.56 -78.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 40.4 pttt -126.98 10.92 7.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -53.79 118.76 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 48' ' ' MET . 3.0 tt -53.73 -40.79 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.586 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 4.4 ptt? -72.35 -27.61 62.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.92 -39.93 49.22 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.2 mp -77.16 -36.57 55.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 ttt -56.15 -17.65 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.567 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.61 -55.01 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.45 133.7 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -157.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.674 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.06 -161.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.484 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 p -146.94 155.98 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.82 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.3 -23.71 31.03 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 m -64.78 149.87 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.308 . . . . 0.0 110.418 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.08 164.35 21.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.83 143.82 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.347 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -98.85 100.11 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.088 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.79 125.91 35.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.91 133.05 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 111.35 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -136.1 114.5 11.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.596 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 5.8 pt20 -110.08 103.72 12.49 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.656 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.55 -160.19 32.49 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.96 -36.43 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.7 m-20 -73.9 2.17 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.6 pp20? -58.44 -0.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.2 tt0 -50.88 -52.55 40.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' A' ' 28' ' ' ARG . 63.0 mt-10 -54.92 -25.87 32.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.969 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.21 -55.27 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 110.954 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 74' ' ' LEU . 10.4 mp -82.84 -33.55 27.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.961 0.41 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.42 -66.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.58 -63.51 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.17 -34.48 22.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -59.93 -48.86 79.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.33 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.99 -27.92 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.8 mt-30 -98.26 21.5 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 82' ' ' GLN . 8.4 mt-10 57.66 145.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -148.38 89.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.517 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.597 HG12 ' N ' ' B' ' 3' ' ' GLN . 53.6 t -151.67 164.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.597 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.3 pt20 -179.85 119.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -142.37 128.43 19.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.69 155.52 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.13 177.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -123.38 137.89 54.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.63 132.95 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 10' ' ' LEU . 87.6 mtt180 -145.75 6.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ARG . 12.2 mt -50.17 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.63 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -78.27 179.51 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -146.6 169.42 19.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 168.68 176.35 38.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.64 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -80.29 130.49 35.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 14' ' ' LEU . 31.6 mt-30 -53.82 -165.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.15 -19.87 21.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.7 mtp180 -76.15 -43.09 3.54 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.0 Cg_exo -57.19 -46.6 27.38 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.482 2.121 . . . . 0.0 112.153 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.55 77.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.36 72.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.8 -26.79 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -53.03 -60.07 3.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 27' ' ' ASN . 39.8 t -65.51 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.178 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.43 -43.72 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.704 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -71.48 -38.71 71.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.593 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -80.22 -17.88 51.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 23' ' ' VAL . 32.2 t30 -53.56 -27.72 27.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.447 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 95.3 mtt180 -91.08 13.87 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.536 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -87.82 -161.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 2.0 m -167.5 -3.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.216 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.438 ' H ' ' H ' ' B' ' 30' ' ' THR . 75.4 p -93.4 -126.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.82 139.84 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 63.7 t -109.56 139.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.398 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -146.08 121.85 10.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.237 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.26 118.07 32.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.52 141.83 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.527 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.78 130.87 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' B' ' 40' ' ' LYS . 5.7 m-20 49.36 40.42 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 -23.39 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' B' ' 38' ' ' ASP . 38.1 mttm -74.01 125.77 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.68 ' HB3' ' HZ2' ' B' ' 41' ' ' LYS . 0.5 OUTLIER -132.74 136.47 46.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 m -100.18 169.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.574 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 29.0 t30 -41.55 -48.76 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 169.49 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.542 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 40.2 pttt -127.0 10.86 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -53.67 118.85 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 48' ' ' MET . 3.0 tt -53.92 -40.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.456 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 4.4 ptt? -72.49 -27.58 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.05 -39.66 49.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.687 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.2 mp -77.35 -36.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.68 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.6 ttt -56.28 -17.77 8.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -55.03 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.48 133.82 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.41 -157.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 m -138.13 -161.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 4.1 p -146.78 156.04 42.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.92 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.26 -23.68 31.2 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 44.6 m -64.88 149.79 48.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.0 164.26 21.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.79 143.88 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 13.4 m -98.94 100.22 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.92 125.95 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.9 132.95 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.048 0.451 . . . . 0.0 111.3 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -136.0 114.49 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.558 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.402 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 5.8 pt20 -110.1 103.77 12.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.44 -160.26 32.5 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.297 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.92 -36.39 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.521 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.7 m-20 -73.93 2.16 9.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.7 pp20? -58.41 -0.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.545 ' H ' ' C ' ' B' ' 69' ' ' ASP . 39.1 tt0 -50.93 -52.64 40.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 28' ' ' ARG . 62.6 mt-10 -54.77 -25.79 30.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.27 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.558 HD12 ' N ' ' B' ' 74' ' ' LEU . 10.4 mp -82.82 -33.56 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.994 0.426 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -70.31 -66.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.54 -63.54 1.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.13 -34.64 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.487 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.41 81.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.18 -46.21 91.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.06 -27.95 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.467 ' O ' ' O ' ' B' ' 83' ' ' GLU . 18.8 mt-30 -98.09 21.31 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' B' ' 82' ' ' GLN . 8.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 3' ' ' GLN . 60.1 t -147.36 171.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.702 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.0 pt20 -178.35 119.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 110.691 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -142.38 147.45 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -92.69 154.15 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.08 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -103.34 155.14 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -93.76 140.48 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -148.59 -8.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -43.49 151.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.45 128.29 35.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.25 129.53 55.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.64 -178.7 22.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 15' ' ' GLN . 6.9 mt -53.98 115.4 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' LEU . 1.8 mm100 -49.91 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' H ' HE21 ' A' ' 15' ' ' GLN . . . -83.94 -34.04 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 12.7 mtp180 -61.91 -54.47 50.46 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 37.5 Cg_endo -69.63 -30.48 22.83 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 121.958 1.772 . . . . 0.0 111.982 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.91 -33.14 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -50.65 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.61 -26.67 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.19 -46.55 72.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 27' ' ' ASN . 41.1 t -75.21 -32.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.8 -48.91 63.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.44 -36.79 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.132 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -74.39 -19.41 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.9 t30 -50.86 -23.12 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.437 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -96.13 19.93 10.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.654 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' N ' ' A' ' 30' ' ' THR . 23.7 p90 -38.67 -62.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.299 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.643 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m 44.56 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.075 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 29' ' ' PHE . 43.6 p -147.25 -12.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.186 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.5 OUTLIER 74.01 127.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.663 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 40.5 t -111.3 154.34 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.166 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 64.1 m-85 -149.62 121.87 8.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.617 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.92 143.26 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.88 140.08 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.601 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -167.9 148.26 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER 45.38 36.09 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.92 -23.2 0.7 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 38' ' ' ASP . 17.2 mttt -72.48 159.05 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 41.9 tttm -137.56 170.87 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 26.9 m -138.02 176.38 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.7 t-20 -52.15 -55.58 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 162.83 -48.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.438 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 25.1 pttt -153.33 -18.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t -53.84 146.58 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.8 mt -66.28 -44.35 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -49.0 -22.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.01 -47.95 12.38 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.19 -44.59 79.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.592 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.64 -34.23 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -58.7 -57.12 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.34 -153.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.76 -174.4 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.533 HG22 ' N ' ' A' ' 56' ' ' SER . 3.6 p -175.61 159.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -154.22 161.61 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -48.27 148.12 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.81 1.57 89.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.5 m -90.87 162.8 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' A' ' 59' ' ' THR . 14.9 pt-20 -134.1 163.5 29.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 61' ' ' VAL . 5.1 p -140.33 123.03 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -80.61 99.94 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.752 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD21 ' HB1' ' A' ' 73' ' ' ALA . 1.8 tt -87.35 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.41 127.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -131.92 114.97 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.873 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 21.2 mt-30 -107.54 102.56 11.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.313 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.96 -171.45 36.28 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.03 -33.52 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 71' ' ' GLN . 26.7 m-20 -73.33 -3.87 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.9 pp20? -53.49 -5.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 69' ' ' ASP . 18.4 tt0 -50.75 -47.04 59.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.426 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 9.5 mp0 -59.86 -26.57 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.6 -54.25 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.776 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.4 mm? -81.74 -38.18 26.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.97 -66.34 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.71 -64.68 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mp -50.12 -46.2 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.77 -39.61 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.51 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.36 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.15 -40.8 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 77' ' ' LEU . 63.7 t -67.97 -17.3 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -109.99 7.08 23.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 57.05 32.36 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.65 128.87 41.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.545 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.704 HG12 ' N ' ' B' ' 3' ' ' GLN . 60.4 t -147.48 170.69 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.704 ' N ' HG12 ' B' ' 2' ' ' VAL . 11.9 pt20 -177.82 119.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.67 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -142.36 147.39 36.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -92.65 153.98 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -150.0 167.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.17 155.49 18.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.1 140.39 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -148.64 -8.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.62 151.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.46 128.35 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.35 129.51 55.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.472 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.57 -178.66 22.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 15' ' ' GLN . 6.9 mt -54.09 115.43 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.469 HE21 ' H ' ' B' ' 16' ' ' ALA . 1.8 mm100 -49.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.469 ' H ' HE21 ' B' ' 15' ' ' GLN . . . -83.94 -34.12 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 12.6 mtp180 -61.82 -54.5 50.56 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 37.6 Cg_endo -69.67 -30.3 22.93 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.949 1.766 . . . . 0.0 112.049 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.1 65.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.6 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.59 -26.67 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.24 -46.71 72.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' B' ' 27' ' ' ASN . 40.8 t -75.15 -32.25 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.7 -49.01 63.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.916 0.389 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -72.36 -36.9 68.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.11 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -74.48 -19.28 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.485 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' B' ' 23' ' ' VAL . 7.0 t30 -50.87 -23.1 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.399 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -96.23 20.04 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.641 ' CG ' ' N ' ' B' ' 30' ' ' THR . 23.8 p90 -38.64 -62.49 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.241 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.641 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 1.7 m 44.45 14.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.054 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.572 ' N ' ' O ' ' B' ' 29' ' ' PHE . 45.3 p -147.3 -11.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.231 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.5 OUTLIER 73.84 127.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.756 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.745 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 40.6 t -111.12 154.39 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.192 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 33' ' ' VAL . 64.0 m-85 -149.76 121.92 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.877 0.37 . . . . 0.0 110.64 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.95 143.23 33.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.406 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -140.91 139.97 34.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -167.83 148.19 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 40' ' ' LYS . 0.9 OUTLIER 45.5 36.07 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.89 -23.23 0.7 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 38' ' ' ASP . 17.0 mttt -72.32 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 42.0 tttm -137.62 170.88 15.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 26.9 m -138.1 176.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.661 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 4.8 t-20 -52.17 -55.59 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 162.86 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 25.1 pttt -153.47 -18.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -53.78 146.67 13.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.36 -44.44 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -48.97 -22.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.06 -47.93 12.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.2 -44.58 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.7 -34.18 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -58.74 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.42 -153.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.73 -174.45 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.516 HG22 ' N ' ' B' ' 56' ' ' SER . 3.6 p -175.66 159.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.484 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.516 ' N ' HG22 ' B' ' 55' ' ' VAL . 1.1 m -154.08 161.59 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.648 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -48.14 147.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 1.53 89.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' B' ' 60' ' ' GLU . 54.7 m -90.84 162.88 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' B' ' 59' ' ' THR . 14.8 pt-20 -134.2 163.73 28.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.544 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.1 p -140.5 123.19 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -80.87 99.93 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.703 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB1' ' B' ' 73' ' ' ALA . 1.8 tt -87.29 137.25 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.087 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.44 127.58 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -131.91 114.88 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.882 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.404 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 20.9 mt-30 -107.29 102.51 11.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.283 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.12 -171.59 36.43 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -92.8 -33.6 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.434 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 71' ' ' GLN . 26.7 m-20 -73.32 -3.73 28.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.9 pp20? -53.56 -5.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' B' ' 69' ' ' ASP . 18.6 tt0 -50.81 -47.11 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 9.5 mp0 -59.74 -26.6 65.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.49 -54.29 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.778 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.4 mm? -81.84 -38.13 25.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.005 0.431 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.98 -66.35 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.63 -64.88 1.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 81' ' ' VAL . 10.7 mp -50.01 -46.1 52.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.92 -39.46 74.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.576 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.4 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -60.11 -40.77 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 77' ' ' LEU . 64.2 t -67.95 -17.47 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.652 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -109.78 6.98 23.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.627 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' B' ' 65' ' ' ALA . 55.6 t -155.65 156.45 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.454 ' N ' HG12 ' A' ' 2' ' ' VAL . 2.8 pt20 -173.52 126.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.706 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.17 141.08 32.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.583 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.484 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 40.3 tt0 -102.67 143.67 32.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.74 144.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -144.41 -4.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 18.9 mt -53.87 159.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.46 164.39 18.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 p -141.01 165.38 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.1 -176.83 47.22 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.61 152.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 -163.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -29.31 17.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.29 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.7 mtm-85 -69.58 -49.17 22.58 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.977 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -56.12 -49.41 15.44 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' ' 47' ' ' ILE . . . -53.46 -44.22 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.87 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.59 -26.88 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.95 -48.29 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' A' ' 27' ' ' ASN . 48.9 t -73.85 -32.81 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.63 -45.17 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.215 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.81 -36.85 70.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -86.38 1.6 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 23' ' ' VAL . 16.2 t-20 -71.74 -25.95 62.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -89.52 -7.35 55.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.868 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -49.91 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.22 -179.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.9 m -171.57 17.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.7 p -136.64 3.07 2.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.4 OUTLIER 70.64 127.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 94.4 t -111.55 128.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.675 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.63 121.58 38.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.67 121.37 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.21 138.62 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 23.4 tptp -152.96 109.67 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 9.7 t0 73.83 24.54 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.75 -18.48 52.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -95.06 150.26 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.67 165.77 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' ASN . 16.2 m -111.34 172.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.575 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.8 t-20 -36.72 -54.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.442 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 168.69 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 19.1 pttt -140.94 11.01 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 p -59.22 140.36 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' HB1' ' A' ' 19' ' ' ALA . 13.3 mt -67.05 -51.19 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mtt -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.45 -35.66 90.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.76 -34.15 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.598 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -70.98 -31.59 68.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.8 t -61.78 -63.36 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.03 63.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.79 161.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.47 -159.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.17 178.62 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 128.19 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.28 4.62 60.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.7 p -89.81 169.87 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.22 161.88 32.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 61' ' ' VAL . 5.5 p -142.16 119.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.52 113.27 25.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 2.9 pp -91.39 156.21 17.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 64' ' ' ILE . 9.7 mt -143.79 121.41 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.005 0.431 . . . . 0.0 111.099 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.99 116.35 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.631 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.29 97.8 7.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.636 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.68 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 165.53 -141.21 6.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 70' ' ' GLU . 49.4 tt0 -113.79 -41.43 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' OD2' ' OG1' ' A' ' 30' ' ' THR . 0.9 OUTLIER -63.66 -0.55 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 69' ' ' ASP . 16.2 tt0 -58.32 -47.54 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -62.29 -44.17 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.97 51.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.796 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 11.0 mp -81.87 -46.71 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 28.2 tt0 -68.83 -66.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -61.75 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -26.23 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.633 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -63.88 -50.06 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.59 74.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.551 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -77.1 -44.69 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 54.8 t -72.34 -26.92 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.79 -14.3 34.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.83 97.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.24 159.88 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.562 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.68 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' ALA . 55.9 t -155.77 156.46 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.453 ' N ' HG12 ' B' ' 2' ' ' VAL . 2.8 pt20 -173.5 126.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.696 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.23 141.09 32.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.559 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.44 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 39.9 tt0 -102.61 143.85 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 144.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -144.46 -5.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 mt -53.75 159.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.49 164.44 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -141.03 165.42 27.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.08 -176.96 47.22 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.38 152.58 40.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 110.694 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.87 -163.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.27 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.487 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 7.7 mtm-85 -69.53 -49.17 22.89 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.023 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 37.7 Cg_exo -56.17 -49.39 15.45 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.383 2.055 . . . . 0.0 111.94 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' B' ' 47' ' ' ILE . . . -53.37 -44.28 68.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.96 86.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.58 -26.93 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.83 -48.36 75.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.692 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' B' ' 27' ' ' ASN . 49.0 t -73.83 -32.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.66 -45.22 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.185 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.78 -36.84 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.025 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -86.3 1.57 50.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' B' ' 23' ' ' VAL . 16.2 t-20 -71.71 -26.03 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -89.38 -7.24 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.967 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -50.06 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.139 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.483 ' OG1' ' OD2' ' B' ' 69' ' ' ASP . 1.9 m -171.51 17.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.695 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 76.3 p -136.52 2.92 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.66 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 32' ' ' ASP . 0.4 OUTLIER 70.8 127.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.402 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 95.3 t -111.5 128.53 67.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.873 0.368 . . . . 0.0 110.763 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.76 121.65 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.135 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.81 121.38 40.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -116.2 138.48 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.457 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -152.83 109.73 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 73.87 24.58 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.63 -18.38 52.91 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -95.12 150.17 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.57 165.77 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.761 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 43' ' ' ASN . 16.2 m -111.3 172.38 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.8 t-20 -36.65 -54.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 168.76 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' B' ' 29' ' ' PHE . 19.2 pttt -140.84 11.03 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.434 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -59.24 140.42 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.459 HG23 ' HB1' ' B' ' 19' ' ' ALA . 13.1 mt -67.21 -51.11 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 14.9 mtt -61.53 -25.59 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.44 -35.55 90.27 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.79 -34.17 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -71.0 -31.61 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -61.75 -63.35 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.3 mt -98.03 63.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.88 161.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.625 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.37 -159.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.23 178.56 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.44 4.44 60.85 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.7 p -89.66 169.93 10.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.28 161.92 32.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.603 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.5 p -142.23 119.06 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.47 113.22 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 63' ' ' LEU . 2.9 pp -91.22 156.24 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.194 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 64' ' ' ILE . 9.8 mt -143.9 121.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.012 0.434 . . . . 0.0 111.168 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.84 116.38 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.536 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.32 97.82 7.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.627 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 165.55 -141.19 6.84 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.253 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' B' ' 70' ' ' GLU . 49.3 tt0 -113.67 -41.52 3.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.616 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.483 ' OD2' ' OG1' ' B' ' 30' ' ' THR . 0.9 OUTLIER -63.6 -0.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.188 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' B' ' 75' ' ' GLU . 16.7 tt0 -58.24 -47.57 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.682 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.24 -44.08 97.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.89 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 78' ' ' ALA . 11.0 mp -81.9 -46.58 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 28.1 tt0 -68.92 -66.25 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.2 -61.67 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.31 -26.26 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.595 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' B' ' 74' ' ' LEU . . . -63.77 -50.09 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.55 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.51 74.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -77.15 -44.74 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 54.9 t -72.33 -26.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.65 -14.47 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.658 ' H2 ' ' N ' ' B' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 61.7 t -158.76 161.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.042 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.6 pt20 -158.6 144.68 16.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.136 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.07 160.61 39.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -71.65 165.63 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.03 179.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.72 147.59 46.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -86.37 143.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 10' ' ' LEU . 50.4 ttt-85 -146.92 -15.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.5 mt -45.83 175.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.37 157.53 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.6 164.12 30.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 171.77 168.7 33.67 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.6 mt -40.51 136.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.31 -170.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.69 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 6.9 mpt_? -73.13 -53.96 4.62 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 40.2 Cg_endo -69.66 -24.24 30.33 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.004 1.803 . . . . 0.0 112.063 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.96 68.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.635 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.74 -49.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.799 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' N ' HD22 ' A' ' 21' ' ' LEU . 4.3 mm? -63.49 -35.08 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.89 -48.39 16.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ASN . 53.8 t -75.1 -34.08 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.168 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -51.99 -39.0 58.72 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.708 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.87 -45.12 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -18.32 56.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.007 0.432 . . . . 0.0 110.074 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' VAL . 27.0 t-20 -56.36 -26.37 52.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.106 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.37 5.15 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HG23 ' A' ' 33' ' ' VAL . 3.1 t80 -81.6 156.86 24.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.56 ' N ' ' OD2' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -91.9 17.13 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.7 OUTLIER 68.24 134.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.847 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 54.5 t -124.9 128.7 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.165 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 35.6 m-85 -145.3 121.75 11.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 35' ' ' LEU . 5.7 mp -102.35 154.71 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.134 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -148.43 152.62 37.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.729 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.9 ptmt -177.26 144.54 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 40' ' ' LYS . 44.0 t0 37.04 44.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.62 -22.41 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LYS . 46.5 mttp -68.93 149.38 48.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.5 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -146.38 143.89 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' ASN . 27.1 m -106.16 161.62 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 10.2 t-20 -38.07 -70.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.294 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 164.67 -27.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.434 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.74 49.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -127.97 145.92 50.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.64 -51.12 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.602 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' SD ' ' A' ' 48' ' ' MET . 8.2 tpt -50.48 -29.5 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.3 -54.36 27.35 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.4 -33.52 75.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -73.15 -50.75 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.58 -166.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.9 -158.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 56' ' ' SER . 13.5 p -166.18 163.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -123.99 175.3 7.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 56' ' ' SER . 24.4 m -76.78 127.14 32.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.88 -7.46 81.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.7 m -63.86 164.85 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.621 ' N ' HG22 ' A' ' 59' ' ' THR . 12.4 pt-20 -127.56 158.76 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.5 p -137.64 117.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.62 148.34 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -128.71 144.8 51.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.435 HG23 HE22 ' B' ' 3' ' ' GLN . 75.8 mt -130.48 116.84 37.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 0.0 110.813 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.51 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -149.11 114.67 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.737 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.86 142.16 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.026 0.441 . . . . 0.0 110.697 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.762 ' N ' ' H2 ' ' B' ' 1' ' ' MET . . . 143.01 -104.75 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' GLU . 92.6 mt-10 -144.14 -44.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -73.87 26.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -72.61 21.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' ' 69' ' ' ASP . 20.2 tt0 -75.15 -55.4 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -58.73 -31.41 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -61.33 -54.67 40.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 110.76 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.764 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.0 mp -82.68 -42.91 17.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.38 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -65.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 73' ' ' ALA . 7.2 mt -50.12 -52.57 33.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.691 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.8 -46.81 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.491 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.712 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.69 -52.63 35.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.7 -35.04 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' GLU . 38.4 tt0 -59.3 -16.54 22.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' GLN . 50.2 tp10 37.8 79.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.01 -175.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.596 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.762 ' H2 ' ' N ' ' A' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.566 HG12 ' N ' ' B' ' 3' ' ' GLN . 63.2 t -158.8 161.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.996 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.566 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.6 pt20 -158.9 144.48 16.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.099 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -141.97 160.49 40.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.37 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -71.39 165.56 23.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.615 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -150.04 179.16 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.82 147.53 46.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -86.38 143.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' B' ' 10' ' ' LEU . 50.0 ttt-85 -146.79 -15.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' B' ' 9' ' ' ARG . 11.6 mt -45.67 175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.54 157.51 18.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.56 164.25 29.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 171.75 168.78 33.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 14' ' ' LEU . 6.7 mt -40.6 136.14 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.532 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.45 -170.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.73 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 6.9 mpt_? -72.99 -54.03 4.72 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 40.8 Cg_endo -69.61 -24.17 30.65 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.023 1.815 . . . . 0.0 112.14 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.98 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -48.98 27.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.733 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 21' ' ' LEU . 4.3 mm? -63.58 -34.95 78.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.93 -48.42 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 27' ' ' ASN . 53.9 t -75.1 -34.2 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.206 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -51.85 -38.99 58.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.736 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.83 -45.22 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.599 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.23 56.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' B' ' 23' ' ' VAL . 27.0 t-20 -56.33 -26.37 52.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.081 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.45 5.19 51.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.5 ' CD2' HG23 ' B' ' 33' ' ' VAL . 3.1 t80 -81.59 156.84 24.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' ' OD2' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -91.86 17.11 9.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.435 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' B' ' 32' ' ' ASP . 0.7 OUTLIER 68.27 134.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.861 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 55.9 t -125.06 128.7 73.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.128 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' B' ' 44' ' ' ALA . 35.5 m-85 -145.2 121.75 11.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' N ' HD12 ' B' ' 35' ' ' LEU . 5.7 mp -102.2 154.83 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.112 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -148.46 152.67 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' B' ' 40' ' ' LYS . 1.9 ptmt -177.35 144.57 0.41 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' LYS . 44.2 t0 37.08 44.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.7 -22.33 0.71 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' B' ' 37' ' ' LYS . 46.5 mttp -68.92 149.55 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -146.45 143.96 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.725 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' B' ' 43' ' ' ASN . 26.7 m -106.35 161.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.646 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 10.2 t-20 -37.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.351 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 164.7 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.55 49.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.495 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -128.02 145.92 50.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.64 -51.07 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.42 ' O ' ' OG ' ' B' ' 52' ' ' SER . 8.1 tpt -50.54 -29.48 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.33 -54.32 27.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.43 -33.52 75.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 35.7 ttp -68.79 -20.84 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 48' ' ' MET . 20.1 m -73.17 -50.68 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.66 -166.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.92 -158.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' B' ' 56' ' ' SER . 13.6 p -166.13 163.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' B' ' 55' ' ' VAL . 2.7 t -124.06 175.35 7.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.467 ' N ' ' OG ' ' B' ' 56' ' ' SER . 24.3 m -76.74 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.49 -7.11 82.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.605 HG22 ' N ' ' B' ' 60' ' ' GLU . 52.6 m -64.03 164.89 9.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.605 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -127.53 158.7 36.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 61' ' ' VAL . 7.2 p -137.61 117.46 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.57 148.33 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -128.74 144.75 51.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.421 HG23 HE22 ' A' ' 3' ' ' GLN . 75.2 mt -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.064 0.459 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.517 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -149.19 114.61 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.787 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.42 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 7.2 tt0 -140.71 142.08 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.79 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.658 ' N ' ' H2 ' ' A' ' 1' ' ' MET . . . 143.09 -104.8 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 70' ' ' GLU . 92.8 mt-10 -144.13 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.441 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' B' ' 31' ' ' SER . 0.6 OUTLIER -73.86 26.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 68' ' ' GLU . 0.2 OUTLIER -72.8 22.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' B' ' 69' ' ' ASP . 20.5 tt0 -75.21 -55.35 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.78 -31.41 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -61.28 -54.62 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.75 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 9.9 mp -82.76 -42.96 17.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.192 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -65.26 0.98 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 73' ' ' ALA . 7.2 mt -50.03 -52.6 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.645 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.93 -46.68 81.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.521 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.36 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -67.48 -52.63 36.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.661 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.76 -34.98 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' B' ' 83' ' ' GLU . 38.3 tt0 -59.33 -16.42 22.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' B' ' 82' ' ' GLN . 50.3 tp10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 3' ' ' GLN . 68.9 t -150.18 164.58 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.593 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.8 pt20 -170.8 119.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 63' ' ' LEU . 52.9 mt-30 -142.27 139.03 31.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -84.62 154.15 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.9 m -150.2 177.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -116.24 147.55 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.37 131.48 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -140.02 -87.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt 43.16 -116.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.8 163.24 34.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.16 167.54 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 140.2 145.56 4.68 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -35.0 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.909 0.385 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.56 -165.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -83.8 -25.86 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 mtt-85 -65.96 -54.96 24.22 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 38.1 Cg_endo -69.53 -41.98 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.072 1.848 . . . . 0.0 112.08 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.25 75.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.803 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.44 -34.51 78.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.62 -45.18 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 54.2 t -70.1 -31.8 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -69.18 -45.64 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.679 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 29' ' ' PHE . . . -73.63 -26.13 60.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -54.85 -23.96 20.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 56.2 mtt180 -94.81 -0.55 54.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.881 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 26' ' ' ALA . 62.2 m-85 -149.39 132.96 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.37 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.4 t -69.19 -33.79 73.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.72 87.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' THR . 22.2 m-20 -45.65 132.01 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.643 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 2.9 t -106.02 128.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.12 150.24 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.514 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -139.95 130.09 25.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.209 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -129.41 144.33 51.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.502 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.17 120.51 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' ASP . 11.4 t0 66.96 20.49 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.62 -22.4 21.12 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -75.15 103.59 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -95.48 143.29 26.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.12 -179.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.605 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -47.84 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 167.4 -20.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 10.2 pttp -177.96 -8.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 45' ' ' LYS . 13.2 m -55.5 127.05 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -54.68 -35.18 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 mtt -56.0 -42.85 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.74 61.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 50' ' ' LEU . 11.0 mp -82.39 -49.62 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -48.93 -28.73 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 m -75.66 -52.58 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.528 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -91.43 -163.28 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.01 178.65 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.62 179.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.72 151.15 30.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -50.91 125.39 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.44 -6.74 53.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 60' ' ' GLU . 29.5 m -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' N ' HG22 ' A' ' 59' ' ' THR . 32.4 mt-10 -131.72 175.13 9.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.94 139.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -83.98 99.77 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 64' ' ' ILE . 5.0 tt -88.54 117.43 27.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.666 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.3 mt -127.44 116.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.888 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -120.41 116.48 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -107.33 104.31 13.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.7 171.05 39.24 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.223 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -80.74 -44.56 18.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.397 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.6 m-20 -92.62 29.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.318 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.89 8.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.508 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' A' ' 69' ' ' ASP . 25.4 tt0 -50.65 -33.14 21.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 2.3 pp20? -51.32 -38.53 53.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.021 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -64.85 -46.22 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 2.2 mt -81.59 -44.07 17.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.964 0.411 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.32 -66.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.56 -68.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.1 mp -50.21 -51.65 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.58 -30.69 63.47 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.33 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.56 32.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.346 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.3 -44.3 88.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.244 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.34 -19.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -66.55 -4.24 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' VAL . 69.8 tt0 54.08 102.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -45.88 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLU . 88.9 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.603 HG12 ' N ' ' B' ' 3' ' ' GLN . 68.7 t -150.19 164.53 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.603 ' N ' HG12 ' B' ' 2' ' ' VAL . 12.7 pt20 -170.8 119.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.608 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 63' ' ' LEU . 52.8 mt-30 -142.27 138.92 31.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.495 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -84.56 154.2 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 m -150.19 178.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.691 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.3 147.54 41.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.38 131.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -139.9 -87.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt 43.1 -116.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.88 163.17 34.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.11 167.58 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.712 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 14' ' ' LEU . . . 140.15 145.73 4.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.626 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -35.02 148.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.593 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.52 -165.17 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 20' ' ' ALA . . . -83.74 -25.86 30.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.456 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 8.7 mtt-85 -65.96 -54.89 24.71 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_endo -69.56 -41.95 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.086 1.858 . . . . 0.0 112.157 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -33.4 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.819 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 16' ' ' ALA . . . -66.28 -39.72 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.775 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.39 -34.55 78.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.61 -45.15 13.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 54.5 t -70.16 -31.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.49 -24.86 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -69.25 -45.7 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 29' ' ' PHE . . . -73.59 -26.1 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -54.94 -23.83 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.031 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' B' ' 29' ' ' PHE . 56.0 mtt180 -95.02 -0.38 53.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.856 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' B' ' 26' ' ' ALA . 61.9 m-85 -149.41 132.93 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 111.42 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.591 ' O ' ' N ' ' B' ' 32' ' ' ASP . 1.4 t -69.17 -33.82 73.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.74 87.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' THR . 22.3 m-20 -45.8 132.18 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 2.9 t -106.15 128.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.18 150.16 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.503 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -139.77 130.16 25.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -129.63 144.33 51.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.47 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.16 120.65 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.458 ' O ' ' OD1' ' B' ' 38' ' ' ASP . 11.2 t0 66.81 20.5 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.73 -22.46 21.23 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -75.12 103.48 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -95.47 143.49 26.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.21 -179.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -47.78 -62.54 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.584 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 167.57 -20.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 10.2 pttp -178.02 -7.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.431 ' H ' ' H ' ' B' ' 45' ' ' LYS . 13.0 m -55.56 126.9 27.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.48 -35.22 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 42.2 mtt -56.08 -42.7 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.77 61.49 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 50' ' ' LEU . 11.0 mp -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -49.08 -28.72 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -75.53 -52.67 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 mt -91.43 -163.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.73 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.64 179.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.68 151.36 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.8 p -51.09 125.46 13.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.28 -6.64 53.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' N ' ' B' ' 60' ' ' GLU . 30.5 m -82.88 163.3 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 110.516 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.588 ' N ' HG22 ' B' ' 59' ' ' THR . 32.2 mt-10 -131.75 175.05 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.79 139.61 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -84.16 100.0 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.672 ' C ' HD23 ' B' ' 63' ' ' LEU . 5.0 tt -88.7 117.21 27.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.663 ' N ' HD23 ' B' ' 63' ' ' LEU . 3.2 mt -127.23 116.81 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -120.46 116.5 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.798 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.409 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 2.8 pt20 -107.33 104.42 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.392 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.45 170.87 38.87 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.56 -44.52 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.5 m-20 -92.58 29.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.346 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.84 8.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' B' ' 69' ' ' ASP . 25.3 tt0 -50.66 -33.14 21.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.621 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 73' ' ' ALA . 2.3 pp20? -51.21 -38.61 53.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.027 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' B' ' 72' ' ' GLU . . . -64.7 -46.29 82.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.723 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.777 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 2.0 mt -81.59 -43.94 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.974 0.416 . . . . 0.0 111.52 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.36 -66.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.57 -68.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.511 ' N ' HD12 ' B' ' 77' ' ' LEU . 11.2 mp -50.18 -51.69 41.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.65 -30.85 63.79 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.27 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.07 -45.69 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.398 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.22 -44.25 88.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.299 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.38 -18.91 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -66.59 -4.26 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.869 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.573 ' N ' ' OE1' ' B' ' 70' ' ' GLU . 21.3 t -150.28 129.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.437 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.629 HE21 ' NE2' ' B' ' 66' ' ' GLN . 8.8 pt20 -140.38 146.38 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.26 159.08 42.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.453 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.28 162.25 29.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.29 179.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 53.6 mt-10 -122.51 153.96 38.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' ' HA ' ' B' ' 60' ' ' GLU . 84.2 t -95.87 111.81 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.23 -1.28 16.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.603 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -51.07 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.48 137.9 31.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.57 130.1 36.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.57 -177.4 40.07 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 8.8 mt -50.62 147.36 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -84.54 -167.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.507 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.24 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 mtt-85 -76.02 -50.0 3.19 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.912 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.7 Cg_exo -56.55 -41.35 76.89 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.277 1.985 . . . . 0.0 111.878 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.95 84.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.36 86.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.22 -26.72 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.65 -48.15 82.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . 35.6 t -71.16 -32.7 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.484 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -51.95 -49.26 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.0 109.934 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.41 -36.76 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.92 -18.67 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.344 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' VAL . 46.5 t-20 -50.62 -24.13 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 110.076 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 30' ' ' THR . 96.9 mtt-85 -98.37 21.79 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.617 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CG ' ' NZ ' ' A' ' 45' ' ' LYS . 18.7 p90 -36.86 125.75 0.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.227 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.3 p -131.48 3.2 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.653 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 66' ' ' GLN . 1.2 t -153.5 -1.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.323 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER 76.22 131.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.6 t -113.6 128.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.455 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 44' ' ' ALA . 25.6 m-85 -136.79 122.32 19.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.5 mt -100.28 137.04 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.431 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.65 143.93 50.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.18 111.98 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 57.25 25.92 11.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.73 -19.0 56.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.14 112.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.29 153.59 23.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.543 ' C ' ' H ' ' A' ' 44' ' ' ALA . 1.5 m -117.23 170.58 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.332 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 38.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 59.44 -94.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.681 ' NZ ' ' CG ' ' A' ' 29' ' ' PHE . 14.2 pttt -110.9 75.25 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 3.5 p -134.28 127.57 32.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.58 -42.17 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.2 mtm -70.28 -40.55 74.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . -53.15 -57.72 14.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -46.89 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.3 ttt -51.95 -43.75 63.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -58.3 -36.12 72.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.39 133.71 48.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.78 110.07 15.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.94 164.16 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -120.75 169.87 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 57' ' ' THR . 13.8 p -59.15 129.3 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.87 -21.83 37.13 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 60' ' ' GLU . 39.8 m -65.09 169.61 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.656 ' N ' HG22 ' A' ' 59' ' ' THR . 12.5 pt-20 -136.25 167.39 21.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.69 137.77 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 m -87.73 100.53 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 8.2 tt -82.78 145.56 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.0 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.407 HG23 ' NE2' ' B' ' 3' ' ' GLN . 28.8 mt -131.94 116.8 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 111.084 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.513 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -139.03 115.01 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.842 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.647 ' NE2' HE21 ' B' ' 3' ' ' GLN . 32.1 mt-30 -136.09 130.95 34.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.672 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.893 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 155.36 166.11 15.12 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 26.2 tp10 -72.68 69.74 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 110.818 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 71' ' ' GLN . 2.9 m-20 175.24 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.655 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 2' ' ' VAL . 7.4 pt-20 29.52 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.143 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 69' ' ' ASP . 31.1 tt0 -75.0 -52.46 11.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.659 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.614 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 19.9 mp0 -63.21 -33.58 75.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -57.8 -54.64 44.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.646 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.762 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 35.1 mt -82.95 -43.16 16.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 29.1 tt0 -69.44 -66.49 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.34 -64.34 1.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 6.2 mt -50.36 -52.23 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.754 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.86 -31.93 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.561 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.97 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -74.34 -34.4 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 55.9 t -68.62 -15.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 84' ' ' GLU . 21.6 mt-30 -119.64 69.27 0.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 82' ' ' GLN . 48.4 mt-10 -36.37 94.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.564 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' GLN . 15.9 tp10 -174.41 77.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.893 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.578 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 21.3 t -150.18 129.39 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.647 HE21 ' NE2' ' A' ' 66' ' ' GLN . 8.9 pt20 -140.05 146.49 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.078 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.29 159.19 42.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -71.4 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.51 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.24 179.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.545 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.517 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 53.5 mt-10 -122.5 154.11 38.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.402 ' H ' ' HA ' ' A' ' 60' ' ' GLU . 84.1 t -95.99 111.75 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.27 -1.28 16.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.15 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.47 137.8 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.49 130.24 36.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.79 -177.52 40.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 14' ' ' LEU . 8.8 mt -50.53 147.34 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -84.54 -167.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -19.19 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 5.3 mtt-85 -76.11 -50.07 3.1 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.945 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.4 Cg_exo -56.41 -41.58 74.71 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.388 2.059 . . . . 0.0 111.835 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.21 85.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.51 87.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.08 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.57 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 27' ' ' ASN . 34.7 t -71.17 -32.68 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -51.89 -49.36 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 109.932 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.3 -36.72 83.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.909 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.02 -18.62 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.305 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' B' ' 23' ' ' VAL . 46.4 t-20 -50.63 -24.03 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 110.125 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.438 ' O ' HG23 ' B' ' 30' ' ' THR . 96.9 mtt-85 -98.47 21.72 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.683 ' CG ' ' NZ ' ' B' ' 45' ' ' LYS . 18.5 p90 -36.86 125.73 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.438 HG23 ' O ' ' B' ' 28' ' ' ARG . 2.4 p -131.48 3.23 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 66' ' ' GLN . 1.2 t -153.51 -1.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.316 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' B' ' 31' ' ' SER . 1.0 OUTLIER 76.21 131.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.733 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 14.3 t -113.62 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' B' ' 44' ' ' ALA . 25.8 m-85 -136.77 122.19 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.386 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -100.07 137.13 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.73 143.95 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.19 111.97 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 57.3 25.79 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.86 -18.93 56.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.23 112.33 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.25 153.44 23.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' B' ' 44' ' ' ALA . 1.5 m -117.23 170.52 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.8 38.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 59.51 -94.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.683 ' NZ ' ' CG ' ' B' ' 29' ' ' PHE . 14.2 pttt -110.93 75.35 0.92 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 49' ' ' GLY . 3.5 p -134.36 127.47 31.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.55 -42.13 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 41.4 mtm -70.49 -40.36 73.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.664 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' B' ' 46' ' ' SER . . . -53.23 -57.64 14.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.68 -46.85 87.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -52.06 -43.6 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 m -58.33 -36.06 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.53 133.68 47.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.71 109.99 15.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.88 164.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.9 p -120.83 169.79 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -59.02 129.21 41.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 -21.83 37.08 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.662 HG22 ' N ' ' B' ' 60' ' ' GLU . 39.1 m -65.11 169.67 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.662 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -136.28 167.4 21.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.65 137.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -87.73 100.52 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.76 145.48 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.049 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.409 HG23 ' NE2' ' A' ' 3' ' ' GLN . 28.8 mt -131.81 116.76 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.439 . . . . 0.0 111.134 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.519 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -138.95 114.9 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.849 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.629 ' NE2' HE21 ' A' ' 3' ' ' GLN . 32.1 mt-30 -135.96 130.98 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.869 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 155.32 165.98 14.92 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' B' ' 69' ' ' ASP . 26.2 tp10 -72.59 69.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 71' ' ' GLN . 2.9 m-20 175.17 -71.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.672 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' A' ' 2' ' ' VAL . 7.5 pt-20 29.56 33.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.12 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' B' ' 69' ' ' ASP . 31.0 tt0 -75.1 -52.46 10.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.538 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.0 mp0 -63.19 -33.54 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -57.73 -54.65 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 34.7 mt -82.88 -43.23 16.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.369 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 29.0 tt0 -69.43 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.26 -64.36 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 73' ' ' ALA . 6.1 mt -50.41 -52.24 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.772 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.77 -32.05 65.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.543 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.99 -41.08 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -74.15 -34.6 63.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 55.9 t -68.37 -15.55 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.484 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' B' ' 83' ' ' GLU . 21.6 mt-30 -119.48 69.4 0.83 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 82' ' ' GLN . 48.9 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.682 ' CB ' ' H ' ' B' ' 67' ' ' GLY . 6.3 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 59.1 t -158.26 161.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.46 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 3.6 pt20 -166.87 143.58 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -142.17 167.48 22.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -71.12 157.08 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.17 171.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.6 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -118.74 140.19 50.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 t -72.74 142.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -152.8 -3.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.2 mp -49.81 164.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.77 160.83 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -143.81 148.17 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.72 -166.24 36.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.77 154.6 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.8 -36.17 14.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -63.01 -49.34 81.91 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.027 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.9 Cg_exo -56.21 -42.49 65.65 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.101 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.25 82.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.48 99.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 35' ' ' LEU . 57.5 t80 -46.04 -43.02 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.7 t -73.12 -34.21 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.05 -26.51 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -45.5 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.13 -26.37 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -49.86 -29.75 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.68 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -93.06 -11.52 32.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.287 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' ALA . 90.4 m-85 -138.68 114.52 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.575 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ASP . 24.5 p -90.67 37.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 32' ' ' ASP . 20.5 p -75.19 14.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 31' ' ' SER . 1.5 m-20 49.5 103.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 3.2 t -109.67 128.47 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.5 m-85 -132.94 121.81 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.637 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 13.2 mt -95.93 121.55 37.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.194 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' LYS . 19.1 tt0 -116.7 158.6 23.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.895 0.378 . . . . 0.0 110.787 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 pttp -178.89 131.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.19 23.93 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.81 -23.92 14.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.32 151.02 21.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -145.99 -179.49 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.75 174.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.514 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.702 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 t30 -43.16 -65.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 157.98 -28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' VAL . 16.6 pttt -179.79 54.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.85 142.65 49.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 47' ' ' ILE . 3.4 mt -65.79 -50.24 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.5 -23.37 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.09 -54.91 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.73 -28.11 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.56 -16.73 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -50.08 -61.25 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -161.18 -169.13 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.58 166.49 24.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.522 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 56' ' ' SER . 15.2 m -96.36 -149.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.493 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 55' ' ' VAL . 29.0 m -144.31 149.28 35.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' THR . 8.5 t -46.93 124.99 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.89 -29.92 10.52 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.1 m -62.42 137.05 58.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.447 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.92 160.08 15.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.72 136.98 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.9 m -88.01 115.69 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.33 144.86 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.487 HG23 HE22 ' B' ' 3' ' ' GLN . 76.8 mt -135.36 116.82 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -154.23 114.71 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.83 136.01 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.47 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.664 ' H ' ' CB ' ' B' ' 1' ' ' MET . . . 142.97 -168.66 25.94 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.7 59.83 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.79 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.84 2.37 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 75' ' ' GLU . 11.0 tt0 -51.81 -50.47 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.29 -47.15 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.487 -179.744 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -51.1 -54.73 22.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.12 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.8 tp -82.49 -48.27 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.805 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 71' ' ' GLN . 18.6 tt0 -69.21 -66.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -79.45 -64.96 1.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.0 tp -49.75 -47.52 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.32 -34.15 66.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.63 -32.84 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -77.23 -48.53 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 81' ' ' VAL . 55.1 t -59.14 -16.81 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 16.2 mt-30 -116.61 62.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.42 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLN . 29.5 mm-40 -36.75 96.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' GLN . 22.5 mt-10 -56.4 -179.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.575 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.664 ' CB ' ' H ' ' A' ' 67' ' ' GLY . 6.2 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.583 HG12 ' N ' ' B' ' 3' ' ' GLN . 58.5 t -158.16 162.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.583 ' N ' HG12 ' B' ' 2' ' ' VAL . 3.6 pt20 -167.55 143.4 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -142.15 167.36 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.06 157.07 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.12 171.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.89 140.14 50.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.66 142.86 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -153.02 -3.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.2 mp -49.83 164.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.78 160.82 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -143.86 148.08 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.86 -166.34 37.04 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.68 154.66 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.25 14.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.9 OUTLIER -62.98 -49.31 82.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.021 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.6 Cg_exo -56.19 -42.63 64.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.131 . . . . 0.0 112.028 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.1 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.56 98.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.72 -39.25 93.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' B' ' 35' ' ' LEU . 57.4 t80 -45.9 -43.01 13.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' B' ' 45' ' ' LYS . 60.3 t -73.14 -34.26 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -59.94 -26.7 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.63 -45.43 52.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -77.16 -26.4 53.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -49.87 -29.82 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.643 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -93.02 -11.49 32.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.351 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 26' ' ' ALA . 90.5 m-85 -138.6 114.47 9.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.405 ' C ' ' H ' ' B' ' 32' ' ' ASP . 24.1 p -90.69 37.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 32' ' ' ASP . 20.6 p -75.25 14.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 31' ' ' SER . 1.5 m-20 49.42 103.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t -109.67 128.58 65.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.196 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.5 m-85 -133.01 121.75 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.659 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' B' ' 22' ' ' PHE . 13.2 mt -96.02 121.46 37.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.175 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 37' ' ' LYS . 19.2 tt0 -116.6 158.51 23.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.869 0.366 . . . . 0.0 110.784 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 16.4 pttp -178.81 131.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 57.13 23.87 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 -23.99 14.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.28 151.05 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -146.05 -179.44 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.743 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.77 174.01 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.723 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 56.9 t30 -43.09 -65.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 43' ' ' ASN . . . 157.96 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.495 ' O ' HG22 ' B' ' 23' ' ' VAL . 16.7 pttt -179.72 54.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.86 142.66 49.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.75 -50.24 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.47 -23.46 25.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 -54.94 3.94 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.69 -28.21 68.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.48 -16.89 10.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -50.04 -61.37 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.581 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.477 ' C ' HD12 ' B' ' 53' ' ' LEU . 0.4 OUTLIER -161.1 -169.18 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.48 166.56 24.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 56' ' ' SER . 15.1 m -96.44 -149.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.473 ' N ' HG23 ' B' ' 55' ' ' VAL . 28.2 m -144.25 149.25 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' THR . . . . . 0.471 HG23 ' O ' ' B' ' 57' ' ' THR . 8.5 t -46.95 125.19 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.92 -30.16 10.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 29.6 m -62.44 137.04 58.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.525 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.91 160.01 15.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.65 137.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.1 m -88.14 115.78 25.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -89.35 144.67 25.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.173 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.519 HG23 HE22 ' A' ' 3' ' ' GLN . 76.7 mt -135.21 116.92 20.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.816 0.341 . . . . 0.0 110.81 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -154.34 114.62 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.307 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.79 136.32 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.682 ' H ' ' CB ' ' A' ' 1' ' ' MET . . . 142.76 -168.41 25.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.06 59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.734 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.624 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.76 2.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' B' ' 75' ' ' GLU . 11.0 tt0 -51.72 -50.49 60.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.31 -47.19 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.397 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' B' ' 72' ' ' GLU . . . -51.14 -54.6 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.108 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.8 tp -82.59 -48.21 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 0.0 111.788 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 71' ' ' GLN . 18.8 tt0 -69.26 -66.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -79.56 -64.84 1.09 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' B' ' 72' ' ' GLU . 2.0 tp -49.79 -47.44 51.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.34 -34.18 66.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.245 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.64 -32.75 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -77.14 -48.72 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.493 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.1 -16.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.436 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' B' ' 83' ' ' GLU . 16.2 mt-30 -116.48 63.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 82' ' ' GLN . 29.4 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' B' ' 65' ' ' ALA . 19.9 m -145.34 174.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.271 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.17 119.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -142.52 142.01 32.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.574 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.79 160.27 29.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.29 179.21 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -123.18 159.29 28.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.71 146.18 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.47 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 10' ' ' LEU . 8.1 ttt85 -151.25 -4.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.7 mp -40.98 166.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.618 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.87 163.56 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -147.83 134.55 19.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.44 43.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -86.54 122.95 31.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' A' ' 14' ' ' LEU . 75.9 mt-30 -51.82 -168.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.98 -13.33 33.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.23 -49.76 3.06 Favored Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.006 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.0 Cg_exo -56.46 -44.03 49.83 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.413 2.075 . . . . 0.0 112.012 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.9 69.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.67 81.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 21' ' ' LEU . 10.9 mp -77.09 -29.37 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.752 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -51.79 -46.59 64.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 42.5 t -75.25 -33.4 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.92 -49.48 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.669 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.81 -38.55 85.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.561 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -74.61 -23.08 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -49.79 -27.11 4.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.152 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -93.49 19.2 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -94.89 -162.28 0.93 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.078 0.466 . . . . 0.0 111.084 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.471 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m -171.13 -2.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.002 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASP . 15.3 p -95.43 -115.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.493 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 31' ' ' SER . 17.7 m-20 -160.85 135.66 7.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.142 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.682 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 58.5 t -106.02 137.18 37.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -145.78 121.65 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.8 mt -109.7 118.06 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.646 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -119.37 125.48 49.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.495 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.7 142.17 21.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 40' ' ' LYS . 3.9 m-20 51.97 38.73 24.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.25 -12.29 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 38' ' ' ASP . 55.2 mttm -81.37 156.18 25.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.821 0.344 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -148.3 145.84 28.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.682 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' ASN . 12.5 m -116.3 159.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.607 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.2 m-20 -36.53 -45.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.342 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 165.53 -102.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.458 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 34.0 pttt -104.29 12.71 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.7 m -53.89 138.0 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.5 -54.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.454 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.2 mtm -65.21 -21.04 66.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.455 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.15 -47.46 90.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -77.84 -53.82 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.344 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.4 -21.65 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.468 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.54 -48.0 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.3 mt -86.29 -150.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 161.25 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.84 -172.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -149.51 177.11 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.553 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.521 ' N ' ' OG ' ' A' ' 56' ' ' SER . 5.5 m -72.73 127.05 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.24 -23.3 36.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.3 p -55.74 174.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -146.76 166.73 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.22 141.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.63 100.74 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.65 120.8 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.778 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.74 126.43 75.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.018 0.437 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.24 118.13 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.485 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.55 21.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.374 . . . . 0.0 110.665 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.52 -162.81 30.48 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 70' ' ' GLU . 19.9 tt0 -95.67 -47.88 6.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.577 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 2.5 m-20 -63.7 4.44 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.384 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.5 pp20? -59.27 0.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 7.1 tt0 -54.67 -54.64 39.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.751 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -51.64 -25.74 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.027 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.47 -54.84 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.1 mt -82.68 -35.61 26.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 111.309 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.79 -66.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.07 -62.37 1.58 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.19 -35.5 26.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.41 -50.31 47.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.654 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.27 76.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -72.48 -54.04 10.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.641 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.2 t -60.16 -14.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.52 -0.12 41.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.618 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 42.55 38.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.06 143.82 25.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.533 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' ALA . 19.8 m -145.28 174.5 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.299 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 179.15 119.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -142.47 142.01 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.52 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -76.82 160.17 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.23 179.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -123.08 159.26 28.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.64 146.14 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.459 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' B' ' 10' ' ' LEU . 8.0 ttt85 -151.22 -4.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.508 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.7 mp -40.73 166.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -63.9 163.59 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -147.8 134.59 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.4 -170.34 43.34 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.666 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -86.57 122.94 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.728 0.299 . . . . 0.0 110.587 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LEU . 75.8 mt-30 -51.81 -168.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.371 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.01 -13.41 33.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -76.24 -49.8 3.04 Favored Pre-proline 0 CA--C 1.531 0.24 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.964 -179.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.4 Cg_exo -56.48 -44.03 49.77 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.445 2.097 . . . . 0.0 111.989 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.93 69.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 21' ' ' LEU . 10.8 mp -77.06 -29.39 55.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.79 -46.6 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.806 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 42.5 t -75.26 -33.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.999 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -51.96 -49.51 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.708 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.83 -38.49 85.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.503 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -74.57 -23.18 58.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.944 0.402 . . . . 0.0 110.392 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -49.72 -27.26 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.221 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -93.39 19.08 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -94.83 -162.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 29' ' ' PHE . 1.7 m -171.13 -2.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.025 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' B' ' 32' ' ' ASP . 14.7 p -95.43 -115.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' SER . 17.8 m-20 -160.82 135.7 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.135 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 59.1 t -105.99 137.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.349 . . . . 0.0 110.167 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.76 121.64 10.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.59 118.06 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.629 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -119.38 125.57 49.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -152.74 142.24 21.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' B' ' 40' ' ' LYS . 3.9 m-20 51.89 38.8 24.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.478 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.14 -12.28 1.22 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' B' ' 38' ' ' ASP . 55.3 mttm -81.39 156.14 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -148.22 145.91 28.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' B' ' 43' ' ' ASN . 12.2 m -116.38 159.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.367 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.598 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.1 m-20 -36.68 -45.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.179 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 165.6 -102.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.539 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 34.2 pttt -104.24 12.68 33.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 75.8 m -53.81 137.99 36.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -65.42 -54.47 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 27.3 mtm -65.15 -21.14 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.474 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.13 -47.53 90.63 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.79 -53.84 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.463 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tpt -49.41 -21.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.5 t -69.55 -47.88 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.588 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.19 -150.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.498 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.63 161.25 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.562 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.81 -172.98 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 57' ' ' THR . 1.0 OUTLIER -149.56 177.14 10.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.511 ' N ' ' OG ' ' B' ' 56' ' ' SER . 5.4 m -72.62 127.08 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.1 -23.3 36.67 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 50.6 p -55.63 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.631 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.88 166.59 26.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.14 141.35 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.338 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -93.65 100.68 12.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.188 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 20.3 tp -90.62 120.85 32.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mt -119.77 126.34 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.118 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.514 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.17 118.22 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.471 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 1.5 pt20 -114.32 111.47 21.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.698 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.49 -162.77 30.45 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.263 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' B' ' 70' ' ' GLU . 20.0 tt0 -95.67 -47.86 6.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.51 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 2.5 m-20 -63.87 4.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.5 pp20? -59.35 0.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.542 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 69' ' ' ASP . 7.1 tt0 -54.77 -54.57 40.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -51.73 -25.73 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.44 -54.88 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.963 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.621 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 15.3 mt -82.62 -35.72 26.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.908 0.385 . . . . 0.0 111.255 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -69.83 -66.22 0.62 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -84.08 -62.46 1.56 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mt -50.16 -35.49 26.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.729 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.31 -50.3 47.9 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.758 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.21 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.677 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.59 -54.0 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.44 ' O ' HG12 ' B' ' 81' ' ' VAL . 53.1 t -60.25 -14.67 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -99.57 -0.05 41.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 42.54 38.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -55.04 143.78 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.408 ' H ' HG22 ' B' ' 85' ' ' VAL . 13.7 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' O ' ' B' ' 67' ' ' GLY . 41.0 mtt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.607 ' H ' ' CD ' ' B' ' 70' ' ' GLU . 9.5 t -148.48 129.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' B' ' 65' ' ' ALA . 18.3 pt20 -144.43 143.66 31.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.667 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -142.39 142.45 32.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' CG ' ' N ' ' A' ' 6' ' ' VAL . 13.2 ttmm -66.39 162.44 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.326 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 2.7 m -147.46 179.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.701 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -125.37 140.62 52.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.45 134.22 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.656 ' NH2' ' NE2' ' B' ' 82' ' ' GLN . 15.6 ttp180 -145.24 8.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.364 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.08 -178.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.37 168.01 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -150.4 158.82 44.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.498 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 176.94 158.3 19.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.53 141.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -67.87 -162.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -41.67 11.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.2 mtt-85 -56.04 -49.45 93.01 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.907 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.7 Cg_exo -55.99 -38.03 95.29 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.379 2.053 . . . . 0.0 111.97 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.07 -36.01 77.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.13 -33.78 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.99 -28.87 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.59 -41.6 90.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 27' ' ' ASN . 54.7 t -74.22 -34.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -52.41 -49.02 65.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.9 -36.89 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.19 -18.72 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 23' ' ' VAL . 56.3 t30 -53.07 -21.92 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.421 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' PHE . 87.5 mtt180 -96.14 16.05 19.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.804 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD2' ' N ' ' A' ' 30' ' ' THR . 29.0 p90 -34.06 -63.01 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.129 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 1.8 m 41.73 17.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.234 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 29' ' ' PHE . 87.7 p -152.29 -7.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.131 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.3 OUTLIER 76.07 114.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.742 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 23.3 t -112.73 128.65 69.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.33 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.3 m-85 -133.49 121.79 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.727 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.21 117.89 30.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.129 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.59 149.41 34.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.887 0.375 . . . . 0.0 110.76 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 67.3 tttt -164.21 101.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 8.6 t0 75.61 35.41 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.86 -21.5 7.72 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.12 143.07 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.562 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.34 167.6 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.581 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ASN . 2.0 m -103.73 175.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.427 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.688 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 54.1 t-20 -40.49 -65.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 158.98 -23.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.522 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.33 63.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.79 143.29 48.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.451 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.75 -57.22 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.72 -24.51 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.89 88.83 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.01 -36.51 72.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.742 0.306 . . . . 0.0 110.473 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mmt -54.01 -45.3 71.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 p -62.78 -39.92 95.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 tt -91.56 107.92 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 53' ' ' LEU . . . -100.48 148.32 24.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.464 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.18 -163.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' HG21 ' A' ' 59' ' ' THR . 2.8 m -154.14 175.88 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.28 134.72 52.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.36 -8.82 72.16 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.413 HG21 ' H ' ' A' ' 56' ' ' SER . 77.0 p -75.85 172.66 12.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -142.81 158.78 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 61' ' ' VAL . 4.8 p -141.63 122.9 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.531 ' OG1' ' NZ ' ' B' ' 5' ' ' LYS . 60.7 m -76.27 104.6 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.24 142.77 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.75 116.66 46.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.577 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -145.86 114.94 7.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.082 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -126.84 119.26 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.523 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 159.37 -156.07 27.18 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -101.62 -51.94 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.9 m-20 -73.02 3.34 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.695 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.6 ' CD ' ' H ' ' B' ' 2' ' ' VAL . 15.1 pt-20 -60.04 1.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.401 . . . . 0.0 110.362 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 69' ' ' ASP . 19.5 tt0 -50.68 -48.66 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.479 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -51.64 -25.78 7.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.5 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.902 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.6 mt -82.52 -36.11 26.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.306 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.94 -66.16 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.05 -63.16 1.4 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -50.0 -34.71 22.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -69.27 -41.67 76.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.61 -31.66 53.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -70.89 -46.65 62.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.441 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.32 -25.84 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.671 ' NE2' ' NH2' ' B' ' 9' ' ' ARG . 16.3 mm100 -95.72 25.29 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 59.83 153.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.91 144.89 47.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.573 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 41.1 mtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.6 ' H ' ' CD ' ' A' ' 70' ' ' GLU . 9.4 t -148.51 129.61 5.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.458 ' HB3' ' H ' ' A' ' 65' ' ' ALA . 18.3 pt20 -144.37 143.63 31.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.709 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -142.29 142.4 32.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.635 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.531 ' NZ ' ' OG1' ' A' ' 62' ' ' THR . 13.3 ttmm -66.29 162.51 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.52 ' N ' ' CG ' ' B' ' 5' ' ' LYS . 2.7 m -147.48 179.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -125.33 140.64 52.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.576 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.44 134.26 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.671 ' NH2' ' NE2' ' A' ' 82' ' ' GLN . 15.8 ttp180 -145.33 8.2 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.09 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -93.28 168.19 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.588 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.1 p -150.62 158.63 44.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 177.04 158.4 20.24 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.641 ' H ' HD12 ' B' ' 14' ' ' LEU . 0.1 OUTLIER -40.6 141.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.04 -162.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 -41.69 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.2 mtt-85 -55.97 -49.52 92.54 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.942 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_exo -55.9 -37.97 95.2 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 C-N-CA 122.39 2.06 . . . . 0.0 112.013 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.2 -35.93 76.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.593 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.14 -33.79 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.07 -29.02 57.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.466 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.4 -41.65 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.575 ' O ' ' N ' ' B' ' 27' ' ' ASN . 54.2 t -74.22 -34.78 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.48 -49.13 65.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -71.69 -36.9 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.65 58.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.541 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' B' ' 23' ' ' VAL . 56.3 t30 -53.13 -21.97 5.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' B' ' 29' ' ' PHE . 87.5 mtt180 -96.04 15.96 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.84 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' B' ' 30' ' ' THR . 29.1 p90 -33.92 -63.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.09 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.653 ' N ' ' CD2' ' B' ' 29' ' ' PHE . 1.7 m 41.83 17.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.231 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.588 ' N ' ' O ' ' B' ' 29' ' ' PHE . 87.9 p -152.29 -7.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.035 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' B' ' 32' ' ' ASP . 0.3 OUTLIER 75.99 114.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.671 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.744 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 23.3 t -112.79 128.69 69.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.293 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.6 m-85 -133.5 121.82 22.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.19 117.81 30.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -113.58 149.38 34.58 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.907 0.384 . . . . 0.0 110.768 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 67.1 tttt -164.18 101.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.44 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' B' ' 37' ' ' LYS . 8.7 t0 75.72 35.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.98 -21.53 7.81 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -92.07 143.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -144.4 167.54 22.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 m -103.76 175.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.426 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.708 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 54.2 t-20 -40.41 -65.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.744 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 158.8 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -179.31 63.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 143.26 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.445 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -59.71 -57.18 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -60.58 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.26 -47.96 88.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 70.9 mt -70.98 -36.53 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -54.01 -45.2 71.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 27.5 p -62.96 -39.92 96.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.604 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.593 HD23 ' C ' ' B' ' 53' ' ' LEU . 3.1 tt -91.52 107.93 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.518 ' N ' HD23 ' B' ' 53' ' ' LEU . . . -100.42 148.29 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.21 -163.92 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.412 ' H ' HG21 ' B' ' 59' ' ' THR . 2.8 m -154.1 175.84 12.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -67.19 134.94 52.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.513 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.15 -8.8 72.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.412 HG21 ' H ' ' B' ' 56' ' ' SER . 76.7 p -76.01 172.65 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.532 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -142.74 158.85 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.535 ' O ' HG13 ' B' ' 61' ' ' VAL . 4.7 p -141.67 122.88 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . 0.507 ' OG1' ' NZ ' ' A' ' 5' ' ' LYS . 61.0 m -76.29 104.67 6.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -80.22 142.73 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 88.8 mt -125.66 116.65 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.348 . . . . 0.0 110.61 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -145.89 114.86 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -126.81 119.29 26.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.812 0.339 . . . . 0.0 110.527 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 159.47 -156.15 27.28 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -101.67 -51.82 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.551 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.9 m-20 -73.07 3.44 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 2' ' ' VAL . 15.1 pt-20 -60.3 1.32 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.551 ' H ' ' C ' ' B' ' 69' ' ' ASP . 19.5 tt0 -50.85 -48.58 59.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -51.75 -25.68 8.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.54 -54.62 21.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.867 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.615 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.7 mt -82.47 -36.02 26.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.824 0.345 . . . . 0.0 111.248 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -70.03 -66.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -84.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -49.94 -34.69 21.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -69.23 -41.83 76.48 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.477 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.49 -31.52 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -71.1 -46.44 61.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.47 -25.84 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.656 ' NE2' ' NH2' ' A' ' 9' ' ' ARG . 16.4 mm100 -95.68 25.36 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 59.79 153.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.89 145.1 46.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.561 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.587 ' N ' ' O ' ' B' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.701 HG12 ' N ' ' A' ' 3' ' ' GLN . 42.9 t -148.71 172.27 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.701 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.6 pt20 179.69 132.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.745 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.27 127.11 18.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.511 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.06 150.99 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.03 166.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.593 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -96.67 150.79 20.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG23 ' C ' ' B' ' 60' ' ' GLU . 51.2 t -80.98 145.5 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.635 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 10' ' ' LEU . 31.7 ttm180 -151.69 -79.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ARG . 21.4 mt 36.2 -133.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' HD23 ' B' ' 14' ' ' LEU . 88.1 mttt -136.8 146.03 45.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.298 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 p -123.74 165.25 17.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.6 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 163.27 165.8 21.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 11' ' ' LYS . 59.2 mt -42.31 153.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.8 -164.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.94 -21.03 21.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -76.05 -49.46 3.29 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.963 -179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 38.4 Cg_exo -56.23 -51.03 10.32 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.433 2.089 . . . . 0.0 111.969 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 -47.7 65.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.27 88.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.543 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.01 -26.87 62.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.632 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -56.17 -45.93 79.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ASN . 42.7 t -75.22 -31.93 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -51.81 -46.12 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.958 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.67 -37.1 86.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.963 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -78.38 -19.94 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' VAL . 3.1 t30 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.0 19.87 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.675 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ALA . 38.9 p90 -39.75 134.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 t -148.77 8.44 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 66' ' ' GLN . 3.3 t -156.72 8.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.373 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.54 121.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.691 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.0 t -111.51 128.88 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.22 122.67 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.438 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.93 131.45 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -137.05 136.36 38.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -171.22 134.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 52.97 30.45 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.87 -12.74 34.31 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -71.31 148.12 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 43.3 tttp -145.66 163.15 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 4.4 m -145.2 175.58 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.624 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 14.2 t-20 -45.6 -65.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 161.29 -21.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.93 61.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -126.0 140.11 52.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.72 -41.16 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.31 -25.98 67.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.63 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.72 -53.31 28.38 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.95 -43.63 71.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.624 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -58.34 -49.65 76.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.3 m -49.81 -30.24 9.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.95 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.08 135.93 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.501 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.5 m -113.6 172.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.452 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.16 156.74 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 57' ' ' THR . 2.3 p -47.13 121.61 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.99 2.82 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.6 p -54.99 175.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.325 . . . . 0.0 110.533 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' C ' HG23 ' B' ' 8' ' ' VAL . 6.6 pt-20 -139.1 163.09 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.8 p -137.27 113.06 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.28 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -97.06 99.7 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.59 132.64 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.093 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 64' ' ' ILE . 12.7 mt -117.15 116.99 53.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.018 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -124.25 117.86 25.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.648 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' OG ' ' A' ' 31' ' ' SER . 3.8 pt20 -117.01 117.53 29.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.759 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' B' ' 1' ' ' MET . . . 174.34 -152.98 15.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 70' ' ' GLU . 5.0 mp0 -109.23 -32.71 7.09 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.814 0.34 . . . . 0.0 110.499 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 71' ' ' GLN . 14.1 m-20 -90.66 -57.19 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.934 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 7.0 pm0 25.59 35.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.948 0.78 . . . . 0.0 111.283 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.72 5.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.236 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.28 -25.9 6.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.51 20.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.849 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 6.5 mt -82.47 -41.53 19.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.0 111.068 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.17 -52.2 30.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.01 0.5 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.1 mp -50.5 -53.49 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -57.15 -40.41 77.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.729 -179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.22 -34.88 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -76.99 -36.37 56.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 81' ' ' VAL . 97.0 t -77.81 -12.5 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 4.8 tt0 -116.46 36.03 4.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.487 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 38.4 mt-10 37.53 82.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.444 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 40.21 -148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.0 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.582 ' N ' ' O ' ' A' ' 67' ' ' GLY . 17.0 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.706 HG12 ' N ' ' B' ' 3' ' ' GLN . 43.3 t -148.84 172.44 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.317 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.706 ' N ' HG12 ' B' ' 2' ' ' VAL . 9.6 pt20 179.49 132.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.745 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -142.3 127.05 18.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.522 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -86.02 150.87 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -150.01 166.33 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -96.61 150.95 20.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 60' ' ' GLU . 50.7 t -81.12 145.52 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' B' ' 10' ' ' LEU . 31.8 ttm180 -151.72 -80.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.476 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 9' ' ' ARG . 21.4 mt 36.33 -133.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.526 ' O ' HD23 ' A' ' 14' ' ' LEU . 88.1 mttt -136.9 145.9 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.345 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 73.1 p -123.7 165.25 17.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.565 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.503 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 163.38 165.83 21.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 11' ' ' LYS . 58.7 mt -42.37 152.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.692 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -87.68 -164.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.02 -21.17 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.0 OUTLIER -75.89 -49.48 3.42 Favored Pre-proline 0 CA--C 1.533 0.295 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.969 -179.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 38.9 Cg_exo -56.1 -51.09 10.26 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.364 2.042 . . . . 0.0 112.026 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.17 89.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.11 -26.78 62.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.24 -45.97 79.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.527 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 27' ' ' ASN . 42.9 t -75.15 -31.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.772 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -51.8 -45.99 64.08 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.022 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.71 -37.17 86.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.007 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.41 -19.75 52.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 23' ' ' VAL . 3.1 t30 -49.82 -22.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.128 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -94.25 20.01 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.634 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' B' ' 26' ' ' ALA . 38.9 p90 -39.88 134.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.949 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -148.71 8.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.925 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 66' ' ' GLN . 3.3 t -156.79 8.47 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.372 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.39 121.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.695 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 13.7 t -111.48 128.8 67.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.14 122.61 38.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.88 131.48 36.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.397 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -137.09 136.28 38.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.542 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -171.13 134.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 52.96 30.55 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.596 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.83 -12.71 34.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -71.44 148.13 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 43.6 tttp -145.59 163.18 35.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.429 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 4.4 m -145.3 175.5 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.626 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 14.0 t-20 -45.5 -65.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.67 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.695 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 161.35 -21.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 179.88 61.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.501 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.3 t -125.94 140.05 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.549 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.69 -40.99 90.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.646 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 2.9 ttt -65.53 -25.92 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.74 -53.49 27.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.85 -43.55 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 110.618 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.462 ' C ' ' SD ' ' B' ' 51' ' ' MET . 1.0 OUTLIER -58.38 -49.6 76.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -49.87 -30.23 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.506 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.2 mt -103.95 -173.88 2.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.93 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.53 172.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.5 t -151.14 156.88 41.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.443 ' H ' HG23 ' B' ' 57' ' ' THR . 2.3 p -47.27 121.52 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.79 -38.93 2.84 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.9 p -54.96 175.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.529 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.45 ' C ' HG23 ' A' ' 8' ' ' VAL . 6.6 pt-20 -139.0 163.26 32.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.556 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.638 ' O ' HG13 ' B' ' 61' ' ' VAL . 11.9 p -137.31 113.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.255 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -97.15 99.74 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.58 132.57 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.113 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 mt -117.16 116.99 53.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.064 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.49 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -124.33 117.85 25.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.613 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.476 ' O ' ' OG ' ' B' ' 31' ' ' SER . 3.8 pt20 -116.96 117.64 30.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.674 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 174.19 -152.98 15.61 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' C ' ' OE2' ' B' ' 70' ' ' GLU . 5.0 mp0 -109.29 -32.85 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.499 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' B' ' 71' ' ' GLN . 14.2 m-20 -90.51 -57.21 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.955 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' B' ' 70' ' ' GLU . 7.2 pm0 25.61 35.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.921 0.763 . . . . 0.0 111.317 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.63 ' N ' ' O ' ' B' ' 69' ' ' ASP . 21.2 tt0 -76.18 -55.78 5.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.254 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.3 -25.95 6.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.55 20.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.679 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.848 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 6.4 mt -82.46 -41.46 19.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.024 0.44 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -69.21 -52.19 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -71.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 81' ' ' VAL . 9.1 mp -50.47 -53.37 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -177.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -57.25 -40.26 77.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.784 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.78 63.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.893 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -77.06 -36.41 55.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.471 ' O ' HG12 ' B' ' 81' ' ' VAL . 97.4 t -77.8 -12.42 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.719 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' B' ' 83' ' ' GLU . 4.8 tt0 -116.58 36.09 4.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 82' ' ' GLN . 38.6 mt-10 37.47 82.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 40.39 -147.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.591 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.59 HG12 ' N ' ' A' ' 3' ' ' GLN . 53.6 t -151.59 164.15 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.438 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.59 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.3 pt20 -179.86 119.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.789 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -142.43 128.36 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.54 155.5 35.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -150.13 176.97 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.639 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.32 137.82 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.464 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.69 132.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' LEU . 88.4 mtt180 -145.56 6.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ARG . 12.2 mt -50.13 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -78.28 179.55 6.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -146.56 169.48 18.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 168.63 176.22 38.72 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.19 130.43 35.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.78 0.324 . . . . 0.0 110.485 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' A' ' 14' ' ' LEU . 31.6 mt-30 -53.87 -165.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.04 -19.91 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.7 mtp180 -76.12 -43.21 3.59 Favored Pre-proline 0 N--CA 1.466 0.366 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.879 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -57.14 -46.57 27.71 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.474 2.116 . . . . 0.0 112.198 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.688 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.06 -42.37 72.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.68 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.66 -26.92 68.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.99 -60.17 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.222 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' ASN . 39.8 t -65.34 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.28 -43.79 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.732 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -71.43 -38.72 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -80.33 -17.78 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.1 t30 -53.6 -27.68 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.307 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 95.1 mtt180 -91.14 13.86 15.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.511 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -87.91 -161.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.017 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 2.0 m -167.39 -3.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.194 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.9 p -93.42 -126.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.69 139.78 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.171 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 62.2 t -109.57 139.17 33.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.894 0.378 . . . . 0.0 110.375 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -145.95 121.76 10.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.311 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.21 118.03 32.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.46 141.58 50.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.59 130.84 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 40' ' ' LYS . 5.7 m-20 49.43 40.35 18.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.4 -23.58 1.51 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 38' ' ' ASP . 38.0 mttm -73.82 125.75 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HZ2' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -132.81 136.59 46.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.452 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.5 m -100.22 169.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.494 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.58 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 29.0 t30 -41.53 -48.84 4.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 169.56 -78.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 40.4 pttt -126.98 10.92 7.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -53.79 118.76 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 48' ' ' MET . 3.0 tt -53.73 -40.79 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.586 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 4.4 ptt? -72.35 -27.61 62.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.92 -39.93 49.22 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 50' ' ' LEU . 7.2 mp -77.16 -36.57 55.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.653 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.5 ttt -56.15 -17.65 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.567 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.61 -55.01 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.45 133.7 20.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.504 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -157.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.674 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.06 -161.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.484 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.2 p -146.94 155.98 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.82 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.3 -23.71 31.03 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.1 m -64.78 149.87 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.748 0.308 . . . . 0.0 110.418 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.08 164.35 21.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.54 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.83 143.82 32.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.347 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -98.85 100.11 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.088 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.79 125.91 35.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.91 133.05 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.048 0.451 . . . . 0.0 111.35 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -136.1 114.5 11.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.596 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 5.8 pt20 -110.08 103.72 12.49 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.656 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.55 -160.19 32.49 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.185 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.96 -36.43 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.7 m-20 -73.9 2.17 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.6 pp20? -58.44 -0.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.474 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 69' ' ' ASP . 39.2 tt0 -50.88 -52.55 40.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.568 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' A' ' 28' ' ' ARG . 63.0 mt-10 -54.92 -25.87 32.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.969 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -67.21 -55.27 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.343 . . . . 0.0 110.954 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 74' ' ' LEU . 10.4 mp -82.84 -33.55 27.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.961 0.41 . . . . 0.0 111.059 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -70.42 -66.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.58 -63.51 1.32 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.17 -34.48 22.64 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -59.93 -48.86 79.96 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.33 81.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.32 -46.2 91.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.1 t -67.99 -27.92 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.578 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.484 ' O ' ' O ' ' A' ' 83' ' ' GLU . 18.8 mt-30 -98.26 21.5 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 82' ' ' GLN . 8.4 mt-10 57.66 145.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -148.38 89.15 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.603 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.517 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.597 HG12 ' N ' ' B' ' 3' ' ' GLN . 53.6 t -151.67 164.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.52 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.597 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.3 pt20 -179.85 119.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -142.37 128.43 19.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -75.69 155.52 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.13 177.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.633 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -123.38 137.89 54.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.63 132.95 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' B' ' 10' ' ' LEU . 87.6 mtt180 -145.75 6.96 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.53 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ARG . 12.2 mt -50.17 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.63 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -78.27 179.51 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -146.6 169.42 19.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 168.68 176.35 38.84 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.64 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -80.29 130.49 35.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 14' ' ' LEU . 31.6 mt-30 -53.82 -165.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.15 -19.87 21.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 3.7 mtp180 -76.15 -43.09 3.54 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.0 Cg_exo -57.19 -46.6 27.38 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.482 2.121 . . . . 0.0 112.153 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.55 77.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.11 -42.36 72.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.8 -26.79 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -53.03 -60.07 3.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' B' ' 27' ' ' ASN . 39.8 t -65.51 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.178 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -52.43 -43.72 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.704 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -71.48 -38.71 71.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.597 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.593 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -80.22 -17.88 51.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 23' ' ' VAL . 32.2 t30 -53.56 -27.72 27.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.312 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.447 ' O ' ' OE2' ' B' ' 72' ' ' GLU . 95.3 mtt180 -91.08 13.87 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.536 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' B' ' 26' ' ' ALA . 0.1 OUTLIER -87.82 -161.8 0.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 2.0 m -167.5 -3.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.216 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.438 ' H ' ' H ' ' B' ' 30' ' ' THR . 75.4 p -93.4 -126.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.49 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.82 139.84 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 63.7 t -109.56 139.24 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.398 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -146.08 121.85 10.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.237 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -114.26 118.07 32.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -120.52 141.83 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.527 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -165.78 130.87 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.551 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' B' ' 40' ' ' LYS . 5.7 m-20 49.36 40.42 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 -23.39 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' B' ' 38' ' ' ASP . 38.1 mttm -74.01 125.77 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.68 ' HB3' ' HZ2' ' B' ' 41' ' ' LYS . 0.5 OUTLIER -132.74 136.47 46.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.52 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 m -100.18 169.94 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.574 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 29.0 t30 -41.55 -48.76 4.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 169.49 -78.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.542 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 40.2 pttt -127.0 10.86 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -53.67 118.85 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 48' ' ' MET . 3.0 tt -53.92 -40.61 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.456 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 4.4 ptt? -72.49 -27.58 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.05 -39.66 49.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.687 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.2 mp -77.35 -36.41 53.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.68 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.6 ttt -56.28 -17.77 8.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 74.4 m -62.43 -55.03 31.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tp -146.48 133.82 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.41 -157.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 m -138.13 -161.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 4.1 p -146.78 156.04 42.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.645 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.41 ' H ' HG22 ' B' ' 57' ' ' THR . 0.0 OUTLIER -54.51 127.92 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.26 -23.68 31.2 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 44.6 m -64.88 149.79 48.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -126.0 164.26 21.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.79 143.88 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 13.4 m -98.94 100.22 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 tp -88.92 125.95 35.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.749 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.9 132.95 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.048 0.451 . . . . 0.0 111.3 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -136.0 114.49 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.558 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.402 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 5.8 pt20 -110.1 103.77 12.54 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.594 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.44 -160.26 32.5 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.297 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.92 -36.39 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.521 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.7 m-20 -73.93 2.16 9.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.7 pp20? -58.41 -0.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.461 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.545 ' H ' ' C ' ' B' ' 69' ' ' ASP . 39.1 tt0 -50.93 -52.64 40.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 28' ' ' ARG . 62.6 mt-10 -54.77 -25.79 30.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -67.27 -55.23 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.558 HD12 ' N ' ' B' ' 74' ' ' LEU . 10.4 mp -82.82 -33.56 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.994 0.426 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -70.31 -66.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -84.54 -63.54 1.32 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.13 -34.64 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -59.82 -48.72 80.56 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.487 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.41 81.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.18 -46.21 91.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.06 -27.95 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.467 ' O ' ' O ' ' B' ' 83' ' ' GLU . 18.8 mt-30 -98.09 21.31 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' B' ' 82' ' ' GLN . 8.5 mt-10 57.78 145.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.573 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -148.32 89.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.506 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.702 HG12 ' N ' ' A' ' 3' ' ' GLN . 60.1 t -147.36 171.18 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.524 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.702 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.0 pt20 -178.35 119.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 110.691 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -142.38 147.45 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -92.69 154.15 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.08 167.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -103.34 155.14 18.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -93.76 140.48 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -148.59 -8.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.453 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -43.49 151.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.45 128.29 35.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.25 129.53 55.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.64 -178.7 22.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 15' ' ' GLN . 6.9 mt -53.98 115.4 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' LEU . 1.8 mm100 -49.91 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' H ' HE21 ' A' ' 15' ' ' GLN . . . -83.94 -34.04 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.519 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 12.7 mtp180 -61.91 -54.47 50.46 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 37.5 Cg_endo -69.63 -30.48 22.83 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 121.958 1.772 . . . . 0.0 111.982 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.91 -33.14 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.06 -50.65 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.61 -26.67 67.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.19 -46.55 72.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 27' ' ' ASN . 41.1 t -75.21 -32.34 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.7 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.8 -48.91 63.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.871 0.367 . . . . 0.0 110.287 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.44 -36.79 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.132 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -74.39 -19.41 60.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.578 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.9 t30 -50.86 -23.12 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.437 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -96.13 19.93 10.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.654 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CG ' ' N ' ' A' ' 30' ' ' THR . 23.7 p90 -38.67 -62.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.299 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.643 ' N ' ' CG ' ' A' ' 29' ' ' PHE . 1.7 m 44.56 14.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.075 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.569 ' N ' ' O ' ' A' ' 29' ' ' PHE . 43.6 p -147.25 -12.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.186 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.5 OUTLIER 74.01 127.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.663 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.729 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 40.5 t -111.3 154.34 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.166 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' VAL . 64.1 m-85 -149.62 121.87 8.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.617 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.92 143.26 33.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -140.88 140.08 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.601 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -167.9 148.26 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER 45.38 36.09 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.92 -23.2 0.7 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 38' ' ' ASP . 17.2 mttt -72.48 159.05 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' A' ' 42' ' ' VAL . 41.9 tttm -137.56 170.87 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.595 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 41' ' ' LYS . 26.9 m -138.02 176.38 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.673 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.7 t-20 -52.15 -55.58 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 162.83 -48.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.438 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 25.1 pttt -153.33 -18.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 t -53.84 146.58 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.657 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.8 mt -66.28 -44.35 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -49.0 -22.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.01 -47.95 12.38 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.19 -44.59 79.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.592 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.64 -34.23 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -58.7 -57.12 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.34 -153.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.76 -174.4 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.615 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG22 ' N ' ' A' ' 56' ' ' SER . 3.6 p -175.61 159.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -154.22 161.61 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -48.27 148.12 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.553 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.81 1.57 89.57 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.5 m -90.87 162.8 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' A' ' 59' ' ' THR . 14.9 pt-20 -134.1 163.5 29.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.512 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 61' ' ' VAL . 5.1 p -140.33 123.03 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.9 m -80.61 99.94 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.752 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD21 ' HB1' ' A' ' 73' ' ' ALA . 1.8 tt -87.35 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.041 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.41 127.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -131.92 114.97 15.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.873 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' HA ' ' H ' ' B' ' 2' ' ' VAL . 21.2 mt-30 -107.54 102.56 11.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.313 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.96 -171.45 36.28 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -93.03 -33.52 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.455 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 71' ' ' GLN . 26.7 m-20 -73.33 -3.87 29.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.497 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.9 pp20? -53.49 -5.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 69' ' ' ASP . 18.4 tt0 -50.75 -47.04 59.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.426 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 9.5 mp0 -59.86 -26.57 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' GLU . . . -66.6 -54.25 25.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.776 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.4 mm? -81.74 -38.18 26.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.97 -66.34 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.71 -64.68 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 81' ' ' VAL . 10.7 mp -50.12 -46.2 53.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.77 -39.61 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.51 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.36 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.15 -40.8 91.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 77' ' ' LEU . 63.7 t -67.97 -17.3 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.622 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -109.99 7.08 23.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 57.05 32.36 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.65 128.87 41.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.545 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.704 HG12 ' N ' ' B' ' 3' ' ' GLN . 60.4 t -147.48 170.69 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.704 ' N ' HG12 ' B' ' 2' ' ' VAL . 11.9 pt20 -177.82 119.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.67 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -142.36 147.39 36.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -92.65 153.98 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.369 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -150.0 167.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -103.17 155.49 18.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.6 t -94.1 140.39 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -148.64 -8.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.62 151.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -64.46 128.35 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 p -117.35 129.51 55.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.472 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -146.57 -178.66 22.12 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' B' ' 15' ' ' GLN . 6.9 mt -54.09 115.43 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.469 HE21 ' H ' ' B' ' 16' ' ' ALA . 1.8 mm100 -49.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.469 ' H ' HE21 ' B' ' 15' ' ' GLN . . . -83.94 -34.12 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 12.6 mtp180 -61.82 -54.5 50.56 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 37.6 Cg_endo -69.67 -30.3 22.93 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.949 1.766 . . . . 0.0 112.049 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.1 65.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.492 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.6 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.59 -26.67 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.24 -46.71 72.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' B' ' 27' ' ' ASN . 40.8 t -75.15 -32.25 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.753 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -51.7 -49.01 63.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.916 0.389 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -72.36 -36.9 68.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.11 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -74.48 -19.28 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.485 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' B' ' 23' ' ' VAL . 7.0 t30 -50.87 -23.1 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.399 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -96.23 20.04 10.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.605 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.641 ' CG ' ' N ' ' B' ' 30' ' ' THR . 23.8 p90 -38.64 -62.49 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.241 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.641 ' N ' ' CG ' ' B' ' 29' ' ' PHE . 1.7 m 44.45 14.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.054 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.572 ' N ' ' O ' ' B' ' 29' ' ' PHE . 45.3 p -147.3 -11.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.231 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' B' ' 32' ' ' ASP . 0.5 OUTLIER 73.84 127.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.756 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.745 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 40.6 t -111.12 154.39 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.192 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 33' ' ' VAL . 64.0 m-85 -149.76 121.92 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.877 0.37 . . . . 0.0 110.64 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.95 143.23 33.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.406 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -140.91 139.97 34.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -167.83 148.19 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 40' ' ' LYS . 0.9 OUTLIER 45.5 36.07 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.566 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.89 -23.23 0.7 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 38' ' ' ASP . 17.0 mttt -72.32 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.495 ' CG ' ' N ' ' B' ' 42' ' ' VAL . 42.0 tttm -137.62 170.88 15.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' B' ' 41' ' ' LYS . 26.9 m -138.1 176.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.661 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 4.8 t-20 -52.17 -55.59 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.745 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 162.86 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 25.1 pttt -153.47 -18.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 t -53.78 146.67 13.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.36 -44.44 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 16.2 ttt -48.97 -22.54 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.06 -47.93 12.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.2 -44.58 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 7.3 tpt -59.7 -34.18 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -58.74 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.42 -153.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.73 -174.45 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.611 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.516 HG22 ' N ' ' B' ' 56' ' ' SER . 3.6 p -175.66 159.59 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.484 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.516 ' N ' HG22 ' B' ' 55' ' ' VAL . 1.1 m -154.08 161.59 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.648 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -48.14 147.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 1.53 89.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.57 HG22 ' N ' ' B' ' 60' ' ' GLU . 54.7 m -90.84 162.88 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.57 ' N ' HG22 ' B' ' 59' ' ' THR . 14.8 pt-20 -134.2 163.73 28.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.544 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.1 p -140.5 123.19 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 88.0 m -80.87 99.93 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.703 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB1' ' B' ' 73' ' ' ALA . 1.8 tt -87.29 137.25 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.087 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -133.44 127.58 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -131.91 114.88 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.882 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.404 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 20.9 mt-30 -107.29 102.51 11.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.283 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.12 -171.59 36.43 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -92.8 -33.6 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.434 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 71' ' ' GLN . 26.7 m-20 -73.32 -3.73 28.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.478 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' B' ' 73' ' ' ALA . 2.9 pp20? -53.56 -5.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' B' ' 69' ' ' ASP . 18.6 tt0 -50.81 -47.11 60.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 9.5 mp0 -59.74 -26.6 65.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' B' ' 70' ' ' GLU . . . -66.49 -54.29 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.778 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.648 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.4 mm? -81.84 -38.13 25.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.005 0.431 . . . . 0.0 110.863 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.98 -66.35 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -79.63 -64.88 1.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 81' ' ' VAL . 10.7 mp -50.01 -46.1 52.5 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.92 -39.46 74.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.576 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -53.4 17.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -60.11 -40.77 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.623 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 77' ' ' LEU . 64.2 t -67.95 -17.47 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.652 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -109.78 6.98 23.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 56.99 32.55 21.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -94.9 128.75 41.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.521 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.627 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' B' ' 65' ' ' ALA . 55.6 t -155.65 156.45 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.455 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.454 ' N ' HG12 ' A' ' 2' ' ' VAL . 2.8 pt20 -173.52 126.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.706 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.17 141.08 32.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.583 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.609 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.484 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 40.3 tt0 -102.67 143.67 32.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.9 t -78.74 144.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.617 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -144.41 -4.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 18.9 mt -53.87 159.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.477 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.46 164.39 18.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 p -141.01 165.38 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.1 -176.83 47.22 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.61 152.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 -163.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.522 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -29.31 17.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.29 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.7 mtm-85 -69.58 -49.17 22.58 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.977 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.7 Cg_exo -56.12 -49.41 15.44 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.441 2.094 . . . . 0.0 112.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' ' 47' ' ' ILE . . . -53.46 -44.22 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.87 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.59 -26.88 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.95 -48.29 76.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' A' ' 27' ' ' ASN . 48.9 t -73.85 -32.81 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.63 -45.17 63.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.215 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.81 -36.85 70.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -86.38 1.6 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 23' ' ' VAL . 16.2 t-20 -71.74 -25.95 62.26 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -89.52 -7.35 55.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.868 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -49.91 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.22 -179.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 29' ' ' PHE . 1.9 m -171.57 17.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.7 p -136.64 3.07 2.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.4 OUTLIER 70.64 127.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.457 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 94.4 t -111.55 128.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.675 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -120.63 121.58 38.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.67 121.37 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -116.21 138.62 51.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.442 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 23.4 tptp -152.96 109.67 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 9.7 t0 73.83 24.54 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.75 -18.48 52.87 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -95.06 150.26 20.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.67 165.77 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 43' ' ' ASN . 16.2 m -111.34 172.47 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.575 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 17.8 t-20 -36.72 -54.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.442 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 168.69 -61.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 19.1 pttt -140.94 11.01 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.483 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.3 p -59.22 140.36 56.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' HB1' ' A' ' 19' ' ' ALA . 13.3 mt -67.05 -51.19 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mtt -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.45 -35.66 90.41 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.76 -34.15 52.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.598 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -70.98 -31.59 68.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.67 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.8 t -61.78 -63.36 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.66 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.03 63.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.79 161.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.554 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.47 -159.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.17 178.62 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.679 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -69.39 128.19 35.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.28 4.62 60.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.7 p -89.81 169.87 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.539 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.22 161.88 32.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 61' ' ' VAL . 5.5 p -142.16 119.08 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.52 113.27 25.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.017 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 2.9 pp -91.39 156.21 17.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.197 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 64' ' ' ILE . 9.7 mt -143.79 121.41 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.005 0.431 . . . . 0.0 111.099 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -132.99 116.35 16.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.631 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.29 97.8 7.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.636 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.68 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 165.53 -141.21 6.86 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 70' ' ' GLU . 49.4 tt0 -113.79 -41.43 3.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.713 0.292 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' OD2' ' OG1' ' A' ' 30' ' ' THR . 0.9 OUTLIER -63.66 -0.55 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.992 0.425 . . . . 0.0 110.197 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 69' ' ' ASP . 16.2 tt0 -58.32 -47.54 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.562 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -62.29 -44.17 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.97 51.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.796 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 11.0 mp -81.87 -46.71 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 28.2 tt0 -68.83 -66.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.35 -61.75 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -26.23 6.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.633 -178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . -63.88 -50.06 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.59 74.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.551 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -77.1 -44.69 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.681 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 54.8 t -72.34 -26.92 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.79 -14.3 34.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.678 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.83 97.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.582 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.24 159.88 33.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.562 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.68 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 6.8 mmt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 65' ' ' ALA . 55.9 t -155.77 156.46 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.453 ' N ' HG12 ' B' ' 2' ' ' VAL . 2.8 pt20 -173.5 126.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.696 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -142.23 141.09 32.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -91.52 150.18 21.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.559 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.22 164.44 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 39.9 tt0 -102.61 143.85 31.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.86 144.99 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -144.46 -5.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 10' ' ' LEU . 19.0 mt -53.75 159.33 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -67.49 164.44 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 p -141.03 165.42 27.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.08 -176.96 47.22 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.38 152.58 40.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 110.694 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.87 -163.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.87 -29.27 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.487 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 7.7 mtm-85 -69.53 -49.17 22.89 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.023 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 37.7 Cg_exo -56.17 -49.39 15.45 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.383 2.055 . . . . 0.0 111.94 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' B' ' 47' ' ' ILE . . . -53.37 -44.28 68.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.96 86.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.58 -26.93 68.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.83 -48.36 75.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.692 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.59 ' O ' ' N ' ' B' ' 27' ' ' ASN . 49.0 t -73.83 -32.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -51.66 -45.22 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.185 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.78 -36.84 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.025 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' B' ' 29' ' ' PHE . . . -86.3 1.57 50.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.36 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' B' ' 23' ' ' VAL . 16.2 t-20 -71.71 -26.03 62.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -89.38 -7.24 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.967 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.663 ' CE1' ' NZ ' ' B' ' 45' ' ' LYS . 0.2 OUTLIER -50.06 175.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.139 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.483 ' OG1' ' OD2' ' B' ' 69' ' ' ASP . 1.9 m -171.51 17.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.695 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 76.3 p -136.52 2.92 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.66 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 32' ' ' ASP . 0.4 OUTLIER 70.8 127.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.402 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.737 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 95.3 t -111.5 128.53 67.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.873 0.368 . . . . 0.0 110.763 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.76 121.65 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.135 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -98.81 121.38 40.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -116.2 138.48 51.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.457 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -152.83 109.73 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 73.87 24.58 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.63 -18.38 52.91 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -95.12 150.17 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -145.57 165.77 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.761 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 43' ' ' ASN . 16.2 m -111.3 172.38 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.47 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 17.8 t-20 -36.65 -54.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.517 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.737 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 168.76 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.494 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.663 ' NZ ' ' CE1' ' B' ' 29' ' ' PHE . 19.2 pttt -140.84 11.03 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.434 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 p -59.24 140.42 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.515 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.459 HG23 ' HB1' ' B' ' 19' ' ' ALA . 13.1 mt -67.21 -51.11 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 14.9 mtt -61.53 -25.59 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.44 -35.55 90.27 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.79 -34.17 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.346 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttt -71.0 -31.61 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -61.75 -63.35 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.664 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.3 mt -98.03 63.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.581 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.88 161.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.625 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -114.37 -159.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -156.23 178.56 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -69.23 128.08 35.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.44 4.44 60.85 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.7 p -89.66 169.93 10.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.715 0.293 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.28 161.92 32.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.603 ' O ' HG13 ' B' ' 61' ' ' VAL . 5.5 p -142.23 119.06 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 62.8 m -94.47 113.22 25.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 63' ' ' LEU . 2.9 pp -91.22 156.24 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.194 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.403 HD13 HG21 ' B' ' 64' ' ' ILE . 9.8 mt -143.9 121.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.012 0.434 . . . . 0.0 111.168 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -132.84 116.38 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.536 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.32 97.82 7.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.775 0.321 . . . . 0.0 110.672 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.627 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 165.55 -141.19 6.84 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.253 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' B' ' 70' ' ' GLU . 49.3 tt0 -113.67 -41.52 3.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.616 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.483 ' OD2' ' OG1' ' B' ' 30' ' ' THR . 0.9 OUTLIER -63.6 -0.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.188 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' B' ' 68' ' ' GLU . 2.8 pp20? -60.34 -3.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' B' ' 75' ' ' GLU . 16.7 tt0 -58.24 -47.57 83.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.682 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.24 -44.08 97.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.89 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.809 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 78' ' ' ALA . 11.0 mp -81.9 -46.58 13.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 28.1 tt0 -68.92 -66.25 0.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.2 -61.67 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.31 -26.26 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.595 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' B' ' 74' ' ' LEU . . . -63.77 -50.09 70.4 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.55 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.51 74.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -77.15 -44.74 29.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 54.9 t -72.33 -26.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -89.65 -14.47 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 54.96 97.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -70.19 159.86 33.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.626 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.586 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.658 ' H2 ' ' N ' ' B' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 61.7 t -158.76 161.68 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.042 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 10.6 pt20 -158.6 144.68 16.93 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.136 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.07 160.61 39.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.307 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -71.65 165.63 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.03 179.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.72 147.59 46.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.596 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -86.37 143.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 10' ' ' LEU . 50.4 ttt-85 -146.92 -15.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' ARG . 11.5 mt -45.83 175.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.37 157.53 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.6 164.12 30.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' B' ' 13' ' ' GLY . . . 171.77 168.7 33.67 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.6 mt -40.51 136.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.31 -170.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.69 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 6.9 mpt_? -73.13 -53.96 4.62 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 40.2 Cg_endo -69.66 -24.24 30.33 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.004 1.803 . . . . 0.0 112.063 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.96 68.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.635 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.74 -49.0 27.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.799 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' N ' HD22 ' A' ' 21' ' ' LEU . 4.3 mm? -63.49 -35.08 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.743 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.89 -48.39 16.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ASN . 53.8 t -75.1 -34.08 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.168 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -51.99 -39.0 58.72 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.708 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.87 -45.12 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.57 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -18.32 56.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.007 0.432 . . . . 0.0 110.074 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.556 ' N ' ' O ' ' A' ' 23' ' ' VAL . 27.0 t-20 -56.36 -26.37 52.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.106 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.37 5.15 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.442 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CD2' HG23 ' A' ' 33' ' ' VAL . 3.1 t80 -81.6 156.86 24.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.691 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.56 ' N ' ' OD2' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -91.9 17.13 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.462 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.7 OUTLIER 68.24 134.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.847 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 54.5 t -124.9 128.7 73.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.165 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 35.6 m-85 -145.3 121.75 11.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 35' ' ' LEU . 5.7 mp -102.35 154.71 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.134 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -148.43 152.62 37.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.729 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.9 ptmt -177.26 144.54 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 40' ' ' LYS . 44.0 t0 37.04 44.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.62 -22.41 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 37' ' ' LYS . 46.5 mttp -68.93 149.38 48.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 110.5 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -146.38 143.89 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' ASN . 27.1 m -106.16 161.62 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.649 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 10.2 t-20 -38.07 -70.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.294 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 164.67 -27.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.434 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.74 49.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -127.97 145.92 50.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.64 -51.12 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.602 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' SD ' ' A' ' 48' ' ' MET . 8.2 tpt -50.48 -29.5 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.3 -54.36 27.35 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.4 -33.52 75.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -68.81 -20.86 64.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -73.15 -50.75 20.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.58 -166.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.9 -158.19 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 56' ' ' SER . 13.5 p -166.18 163.77 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -123.99 175.3 7.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.474 ' N ' ' OG ' ' A' ' 56' ' ' SER . 24.4 m -76.78 127.14 32.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.88 -7.46 81.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 60' ' ' GLU . 54.7 m -63.86 164.85 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.621 ' N ' HG22 ' A' ' 59' ' ' THR . 12.4 pt-20 -127.56 158.76 36.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.5 p -137.64 117.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.608 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.62 148.34 50.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.6 tp -128.71 144.8 51.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.435 HG23 HE22 ' B' ' 3' ' ' GLN . 75.8 mt -130.48 116.84 37.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 0.0 110.813 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -149.11 114.67 5.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.737 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.86 142.16 34.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.026 0.441 . . . . 0.0 110.697 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.762 ' N ' ' H2 ' ' B' ' 1' ' ' MET . . . 143.01 -104.75 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 70' ' ' GLU . 92.6 mt-10 -144.14 -44.64 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -73.87 26.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -72.61 21.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' ' 69' ' ' ASP . 20.2 tt0 -75.15 -55.4 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -58.73 -31.41 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -61.33 -54.67 40.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 110.76 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.764 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 10.0 mp -82.68 -42.91 17.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.38 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -65.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 73' ' ' ALA . 7.2 mt -50.12 -52.57 33.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.691 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.8 -46.81 81.36 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.491 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.712 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.69 -52.63 35.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.7 -35.04 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 83' ' ' GLU . 38.4 tt0 -59.3 -16.54 22.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' GLN . 50.2 tp10 37.8 79.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.01 -175.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.596 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.762 ' H2 ' ' N ' ' A' ' 67' ' ' GLY . 19.7 ttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.566 HG12 ' N ' ' B' ' 3' ' ' GLN . 63.2 t -158.8 161.87 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.996 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.566 ' N ' HG12 ' B' ' 2' ' ' VAL . 10.6 pt20 -158.9 144.48 16.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.099 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -141.97 160.49 40.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.37 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -71.39 165.56 23.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.615 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -150.04 179.16 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.518 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -122.82 147.53 46.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -86.38 143.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' B' ' 10' ' ' LEU . 50.0 ttt-85 -146.79 -15.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.477 ' O ' ' O ' ' B' ' 9' ' ' ARG . 11.6 mt -45.67 175.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -88.54 157.51 18.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -138.56 164.25 29.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.51 ' H ' ' H ' ' A' ' 13' ' ' GLY . . . 171.75 168.78 33.76 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 14' ' ' LEU . 6.7 mt -40.6 136.14 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.532 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.45 -170.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.44 -23.73 29.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.469 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 6.9 mpt_? -72.99 -54.03 4.72 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 40.8 Cg_endo -69.61 -24.17 30.65 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.023 1.815 . . . . 0.0 112.14 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.98 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -48.98 27.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.733 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 21' ' ' LEU . 4.3 mm? -63.58 -34.95 78.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -45.93 -48.42 16.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' B' ' 27' ' ' ASN . 53.9 t -75.1 -34.2 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.206 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -51.85 -38.99 58.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.736 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.83 -45.22 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.599 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.7 -18.23 56.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' B' ' 23' ' ' VAL . 27.0 t-20 -56.33 -26.37 52.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.081 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -92.45 5.19 51.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.5 ' CD2' HG23 ' B' ' 33' ' ' VAL . 3.1 t80 -81.59 156.84 24.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.721 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -142.39 -9.73 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.558 ' N ' ' OD2' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -91.86 17.11 9.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.435 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' B' ' 32' ' ' ASP . 0.7 OUTLIER 68.27 134.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.007 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.861 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 55.9 t -125.06 128.7 73.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.128 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' B' ' 44' ' ' ALA . 35.5 m-85 -145.2 121.75 11.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.61 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' N ' HD12 ' B' ' 35' ' ' LEU . 5.7 mp -102.2 154.83 18.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.112 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -148.46 152.67 37.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.564 ' O ' ' N ' ' B' ' 40' ' ' LYS . 1.9 ptmt -177.35 144.57 0.41 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 40' ' ' LYS . 44.2 t0 37.08 44.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.7 -22.33 0.71 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . 0.564 ' N ' ' O ' ' B' ' 37' ' ' LYS . 46.5 mttp -68.92 149.55 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.506 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -146.45 143.96 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.725 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' B' ' 43' ' ' ASN . 26.7 m -106.35 161.55 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.646 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 10.2 t-20 -37.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.351 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 164.7 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -178.55 49.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.495 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -128.02 145.92 50.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mt -66.64 -51.07 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.42 ' O ' ' OG ' ' B' ' 52' ' ' SER . 8.1 tpt -50.54 -29.48 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.33 -54.32 27.46 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.43 -33.52 75.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 35.7 ttp -68.79 -20.84 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 48' ' ' MET . 20.1 m -73.17 -50.68 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.535 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -92.66 -166.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.92 -158.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.524 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.571 HG22 ' N ' ' B' ' 56' ' ' SER . 13.6 p -166.13 163.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.571 ' N ' HG22 ' B' ' 55' ' ' VAL . 2.7 t -124.06 175.35 7.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.467 ' N ' ' OG ' ' B' ' 56' ' ' SER . 24.3 m -76.74 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.49 -7.11 82.62 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.605 HG22 ' N ' ' B' ' 60' ' ' GLU . 52.6 m -64.03 164.89 9.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.605 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -127.53 158.7 36.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 61' ' ' VAL . 7.2 p -137.61 117.46 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -68.57 148.33 50.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.521 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -128.74 144.75 51.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.172 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.421 HG23 HE22 ' A' ' 3' ' ' GLN . 75.2 mt -130.44 116.97 37.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.064 0.459 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.517 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -149.19 114.61 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.787 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.42 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 7.2 tt0 -140.71 142.08 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.79 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.658 ' N ' ' H2 ' ' A' ' 1' ' ' MET . . . 143.09 -104.8 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 70' ' ' GLU . 92.8 mt-10 -144.13 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.441 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' B' ' 31' ' ' SER . 0.6 OUTLIER -73.86 26.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 68' ' ' GLU . 0.2 OUTLIER -72.8 22.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.475 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' B' ' 69' ' ' ASP . 20.5 tt0 -75.21 -55.35 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.78 -31.41 68.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -61.28 -54.62 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.75 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 9.9 mp -82.76 -42.96 17.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.192 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.4 -66.25 0.61 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.31 -65.26 0.98 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 73' ' ' ALA . 7.2 mt -50.03 -52.6 32.88 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.645 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.93 -46.68 81.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.521 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -42.36 96.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -67.48 -52.63 36.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.661 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.76 -34.98 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' B' ' 83' ' ' GLU . 38.3 tt0 -59.33 -16.42 22.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' B' ' 82' ' ' GLN . 50.3 tp10 37.63 80.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -71.09 -175.7 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.545 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.573 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 3' ' ' GLN . 68.9 t -150.18 164.58 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.593 ' N ' HG12 ' A' ' 2' ' ' VAL . 12.8 pt20 -170.8 119.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 63' ' ' LEU . 52.9 mt-30 -142.27 139.03 31.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -84.62 154.15 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.454 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.9 m -150.2 177.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.702 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -116.24 147.55 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.37 131.48 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -140.02 -87.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.7 mt 43.16 -116.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.8 163.24 34.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.16 167.54 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' LEU . . . 140.2 145.56 4.68 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -35.0 148.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.909 0.385 . . . . 0.0 110.595 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.56 -165.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -83.8 -25.86 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.45 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 8.5 mtt-85 -65.96 -54.96 24.22 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 38.1 Cg_endo -69.53 -41.98 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.072 1.848 . . . . 0.0 112.08 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.25 75.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.787 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ALA . . . -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.803 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.44 -34.51 78.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.75 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.62 -45.18 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 45' ' ' LYS . 54.2 t -70.1 -31.8 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.45 -25.01 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.591 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -69.18 -45.64 69.47 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.679 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 29' ' ' PHE . . . -73.63 -26.13 60.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -54.85 -23.96 20.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 56.2 mtt180 -94.81 -0.55 54.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.881 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' A' ' 26' ' ' ALA . 62.2 m-85 -149.39 132.96 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.37 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 32' ' ' ASP . 1.4 t -69.19 -33.79 73.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.72 87.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 30' ' ' THR . 22.2 m-20 -45.65 132.01 8.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.643 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 2.9 t -106.02 128.63 60.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -112.12 150.24 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.514 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -139.95 130.09 25.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.209 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -129.41 144.33 51.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.502 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.17 120.51 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 38' ' ' ASP . 11.4 t0 66.96 20.49 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.62 -22.4 21.12 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -75.15 103.59 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 110.538 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -95.48 143.29 26.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.12 -179.37 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.605 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -47.84 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 167.4 -20.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 10.2 pttp -177.96 -8.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.516 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 45' ' ' LYS . 13.2 m -55.5 127.05 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -54.68 -35.18 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 mtt -56.0 -42.85 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.5 -32.74 61.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 50' ' ' LEU . 11.0 mp -82.39 -49.62 9.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.591 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -48.93 -28.73 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 m -75.66 -52.58 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.528 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -91.43 -163.28 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.01 178.65 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.62 179.53 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.72 151.15 30.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 p -50.91 125.39 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.656 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.44 -6.74 53.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 60' ' ' GLU . 29.5 m -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 110.512 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' N ' HG22 ' A' ' 59' ' ' THR . 32.4 mt-10 -131.72 175.13 9.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.59 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.94 139.49 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -83.98 99.77 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 64' ' ' ILE . 5.0 tt -88.54 117.43 27.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.666 ' N ' HD23 ' A' ' 63' ' ' LEU . 3.3 mt -127.44 116.77 44.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.888 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -120.41 116.48 25.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -107.33 104.31 13.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.7 171.05 39.24 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.223 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -80.74 -44.56 18.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.397 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' C ' ' H ' ' A' ' 71' ' ' GLN . 7.6 m-20 -92.62 29.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.318 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.89 8.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.508 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' A' ' 69' ' ' ASP . 25.4 tt0 -50.65 -33.14 21.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 2.3 pp20? -51.32 -38.53 53.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.021 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' N ' ' CG ' ' A' ' 72' ' ' GLU . . . -64.85 -46.22 82.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 2.2 mt -81.59 -44.07 17.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.964 0.411 . . . . 0.0 111.398 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.32 -66.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.56 -68.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.1 mp -50.21 -51.65 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.58 -30.69 63.47 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.33 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.56 32.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.346 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.3 -44.3 88.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.244 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.34 -19.04 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.488 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -66.55 -4.24 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 85' ' ' VAL . 69.8 tt0 54.08 102.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -45.88 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 83' ' ' GLU . 88.9 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.603 HG12 ' N ' ' B' ' 3' ' ' GLN . 68.7 t -150.19 164.53 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.341 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.603 ' N ' HG12 ' B' ' 2' ' ' VAL . 12.7 pt20 -170.8 119.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.608 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 63' ' ' LEU . 52.8 mt-30 -142.27 138.92 31.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.495 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -84.56 154.2 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 m -150.19 178.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.691 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -116.3 147.54 41.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.38 131.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -139.9 -87.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 12.8 mt 43.1 -116.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.594 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -144.88 163.17 34.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 p -142.11 167.58 21.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.712 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' B' ' 14' ' ' LEU . . . 140.15 145.73 4.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.626 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -35.02 148.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.593 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -83.52 -165.17 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 20' ' ' ALA . . . -83.74 -25.86 30.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.471 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.456 ' N ' ' HD2' ' B' ' 18' ' ' PRO . 8.7 mtt-85 -65.96 -54.89 24.71 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' ARG . 38.2 Cg_endo -69.56 -41.95 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.086 1.858 . . . . 0.0 112.157 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -33.4 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.819 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' B' ' 16' ' ' ALA . . . -66.28 -39.72 89.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.775 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.39 -34.55 78.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -45.61 -45.15 13.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.609 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 45' ' ' LYS . 54.5 t -70.16 -31.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.541 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -65.49 -24.86 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -69.25 -45.7 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 29' ' ' PHE . . . -73.59 -26.1 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 0.7 OUTLIER -54.94 -23.83 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.031 179.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.489 ' O ' ' CD1' ' B' ' 29' ' ' PHE . 56.0 mtt180 -95.02 -0.38 53.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.856 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.515 ' O ' ' O ' ' B' ' 26' ' ' ALA . 61.9 m-85 -149.41 132.93 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 111.42 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.591 ' O ' ' N ' ' B' ' 32' ' ' ASP . 1.4 t -69.17 -33.82 73.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -42.74 87.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' THR . 22.3 m-20 -45.8 132.18 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.586 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.638 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 2.9 t -106.15 128.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.18 150.16 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.503 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -139.77 130.16 25.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.208 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -129.63 144.33 51.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.47 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.16 120.65 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.59 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.458 ' O ' ' OD1' ' B' ' 38' ' ' ASP . 11.2 t0 66.81 20.5 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.644 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.73 -22.46 21.23 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -75.12 103.48 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -95.47 143.49 26.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -110.21 -179.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.617 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -47.78 -62.54 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.584 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 167.57 -20.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' B' ' 23' ' ' VAL . 10.2 pttp -178.02 -7.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.431 ' H ' ' H ' ' B' ' 45' ' ' LYS . 13.0 m -55.56 126.9 27.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.48 -35.22 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 42.2 mtt -56.08 -42.7 77.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.77 61.49 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 50' ' ' LEU . 11.0 mp -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 30.0 mtp -49.08 -28.72 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.593 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -75.53 -52.67 10.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 16.7 mt -91.43 -163.4 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -163.82 178.73 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.64 179.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -152.68 151.36 30.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 3.8 p -51.09 125.46 13.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.573 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.28 -6.64 53.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' N ' ' B' ' 60' ' ' GLU . 30.5 m -82.88 163.3 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 110.516 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.588 ' N ' HG22 ' B' ' 59' ' ' THR . 32.2 mt-10 -131.75 175.05 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.79 139.61 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -84.16 100.0 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.672 ' C ' HD23 ' B' ' 63' ' ' LEU . 5.0 tt -88.7 117.21 27.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.663 ' N ' HD23 ' B' ' 63' ' ' LEU . 3.2 mt -127.23 116.81 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -120.46 116.5 25.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.798 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.409 ' HA ' ' H ' ' A' ' 2' ' ' VAL . 2.8 pt20 -107.33 104.42 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.392 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 175.45 170.87 38.87 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.56 -44.52 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' B' ' 71' ' ' GLN . 7.5 m-20 -92.58 29.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.346 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.84 8.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' B' ' 69' ' ' ASP . 25.3 tt0 -50.66 -33.14 21.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.621 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 73' ' ' ALA . 2.3 pp20? -51.21 -38.61 53.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.027 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' B' ' 72' ' ' GLU . . . -64.7 -46.29 82.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.723 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.777 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 2.0 mt -81.59 -43.94 17.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.974 0.416 . . . . 0.0 111.52 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.36 -66.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -74.57 -68.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.511 ' N ' HD12 ' B' ' 77' ' ' LEU . 11.2 mp -50.18 -51.69 41.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.65 -30.85 63.79 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.27 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.07 -45.69 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.398 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -65.22 -44.25 88.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.299 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.38 -18.91 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.57 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -66.59 -4.26 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 85' ' ' VAL . 69.7 tt0 54.08 102.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -46.05 91.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' B' ' 83' ' ' GLU . 89.9 t . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.869 ' H2 ' ' H ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.573 ' N ' ' OE1' ' B' ' 70' ' ' GLU . 21.3 t -150.28 129.65 3.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.437 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.629 HE21 ' NE2' ' B' ' 66' ' ' GLN . 8.8 pt20 -140.38 146.38 38.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.26 159.08 42.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.453 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.28 162.25 29.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.29 179.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.505 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 53.6 mt-10 -122.51 153.96 38.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' ' HA ' ' B' ' 60' ' ' GLU . 84.2 t -95.87 111.81 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.23 -1.28 16.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.603 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -51.07 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.48 137.9 31.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.57 130.1 36.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.57 -177.4 40.07 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 8.8 mt -50.62 147.36 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -84.54 -167.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.507 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.96 -19.24 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.235 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 5.3 mtt-85 -76.02 -50.0 3.19 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.912 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 39.7 Cg_exo -56.55 -41.35 76.89 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.277 1.985 . . . . 0.0 111.878 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.95 84.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.36 86.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.552 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.22 -26.72 62.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.65 -48.15 82.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.654 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASN . 35.6 t -71.16 -32.7 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.484 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -51.95 -49.26 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.0 109.934 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.41 -36.76 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.92 -18.67 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.344 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 23' ' ' VAL . 46.5 t-20 -50.62 -24.13 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 110.076 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 30' ' ' THR . 96.9 mtt-85 -98.37 21.79 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.617 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CG ' ' NZ ' ' A' ' 45' ' ' LYS . 18.7 p90 -36.86 125.75 0.89 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.227 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 28' ' ' ARG . 2.3 p -131.48 3.2 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.653 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 66' ' ' GLN . 1.2 t -153.5 -1.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.323 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER 76.22 131.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.732 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 14.6 t -113.6 128.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.455 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 44' ' ' ALA . 25.6 m-85 -136.79 122.32 19.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 63' ' ' LEU . 13.5 mt -100.28 137.04 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.431 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.65 143.93 50.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.18 111.98 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 57.25 25.92 11.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.73 -19.0 56.07 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.14 112.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.29 153.59 23.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.543 ' C ' ' H ' ' A' ' 44' ' ' ALA . 1.5 m -117.23 170.58 6.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.332 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 38.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 59.44 -94.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.681 ' NZ ' ' CG ' ' A' ' 29' ' ' PHE . 14.2 pttt -110.9 75.25 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 49' ' ' GLY . 3.5 p -134.28 127.57 32.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.58 -42.17 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.659 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.2 mtm -70.28 -40.55 74.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.653 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . -53.15 -57.72 14.06 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -46.89 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.44 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.3 ttt -51.95 -43.75 63.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.477 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -58.3 -36.12 72.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.39 133.71 48.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.78 110.07 15.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.94 164.16 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 p -120.75 169.87 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 ' H ' HG23 ' A' ' 57' ' ' THR . 13.8 p -59.15 129.3 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.87 -21.83 37.13 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 60' ' ' GLU . 39.8 m -65.09 169.61 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.611 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.656 ' N ' HG22 ' A' ' 59' ' ' THR . 12.5 pt-20 -136.25 167.39 21.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.69 137.77 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 m -87.73 100.53 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 35' ' ' LEU . 8.2 tt -82.78 145.56 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.0 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 HG23 ' NE2' ' B' ' 3' ' ' GLN . 28.8 mt -131.94 116.8 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 111.084 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.513 ' H ' ' HB3' ' B' ' 3' ' ' GLN . . . -139.03 115.01 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.842 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.647 ' NE2' HE21 ' B' ' 3' ' ' GLN . 32.1 mt-30 -136.09 130.95 34.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.672 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.893 ' H ' ' H2 ' ' B' ' 1' ' ' MET . . . 155.36 166.11 15.12 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 69' ' ' ASP . 26.2 tp10 -72.68 69.74 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.367 . . . . 0.0 110.818 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.602 ' O ' ' N ' ' A' ' 71' ' ' GLN . 2.9 m-20 175.24 -71.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.655 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 2' ' ' VAL . 7.4 pt-20 29.52 33.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.143 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.602 ' N ' ' O ' ' A' ' 69' ' ' ASP . 31.1 tt0 -75.0 -52.46 11.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.659 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.614 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 19.9 mp0 -63.21 -33.58 75.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.569 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 77' ' ' LEU . . . -57.8 -54.64 44.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.646 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.762 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 35.1 mt -82.95 -43.16 16.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.268 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' GLN . 29.1 tt0 -69.44 -66.49 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.34 -64.34 1.16 Allowed 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 6.2 mt -50.36 -52.23 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.754 -177.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.86 -31.93 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.561 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.97 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -74.34 -34.4 63.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.432 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 7' ' ' GLU . 55.9 t -68.62 -15.3 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 84' ' ' GLU . 21.6 mt-30 -119.64 69.27 0.83 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.595 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 82' ' ' GLN . 48.4 mt-10 -36.37 94.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.564 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' GLN . 15.9 tp10 -174.41 77.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.893 ' H2 ' ' H ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.578 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 21.3 t -150.18 129.39 3.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.647 HE21 ' NE2' ' A' ' 66' ' ' GLN . 8.9 pt20 -140.05 146.49 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.078 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -142.29 159.19 42.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 17.8 ttpt -71.4 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.51 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.24 179.05 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.545 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.517 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 53.5 mt-10 -122.5 154.11 38.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.402 ' H ' ' HA ' ' A' ' 60' ' ' GLU . 84.1 t -95.99 111.75 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.642 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -111.27 -1.28 16.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.15 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -90.47 137.8 32.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.49 130.24 36.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.79 -177.52 40.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.414 ' N ' HD23 ' B' ' 14' ' ' LEU . 8.8 mt -50.53 147.34 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -84.54 -167.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.9 -19.19 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 5.3 mtt-85 -76.11 -50.07 3.1 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.945 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.4 Cg_exo -56.41 -41.58 74.71 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.388 2.059 . . . . 0.0 111.835 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.21 85.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.51 87.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.08 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.57 -48.21 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' B' ' 27' ' ' ASN . 34.7 t -71.17 -32.68 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -51.89 -49.36 63.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 109.932 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.3 -36.72 83.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.909 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -78.02 -18.62 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.305 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' B' ' 23' ' ' VAL . 46.4 t-20 -50.63 -24.03 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 110.125 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.438 ' O ' HG23 ' B' ' 30' ' ' THR . 96.9 mtt-85 -98.47 21.72 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.589 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.683 ' CG ' ' NZ ' ' B' ' 45' ' ' LYS . 18.5 p90 -36.86 125.73 0.89 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.438 HG23 ' O ' ' B' ' 28' ' ' ARG . 2.4 p -131.48 3.23 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.708 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 66' ' ' GLN . 1.2 t -153.51 -1.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.316 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' O ' ' B' ' 31' ' ' SER . 1.0 OUTLIER 76.21 131.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.733 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 14.3 t -113.62 128.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' B' ' 44' ' ' ALA . 25.8 m-85 -136.77 122.19 19.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.386 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.3 mt -100.07 137.13 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -131.73 143.95 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -158.19 111.97 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 57.3 25.79 11.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.86 -18.93 56.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -72.23 112.33 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -108.25 153.44 23.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' B' ' 44' ' ' ALA . 1.5 m -117.23 170.52 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.8 38.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.501 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.733 ' HB1' ' O ' ' B' ' 33' ' ' VAL . . . 59.51 -94.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.683 ' NZ ' ' CG ' ' B' ' 29' ' ' PHE . 14.2 pttt -110.93 75.35 0.92 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' B' ' 49' ' ' GLY . 3.5 p -134.36 127.47 31.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.539 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.55 -42.13 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 41.4 mtm -70.49 -40.36 73.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.664 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' B' ' 46' ' ' SER . . . -53.23 -57.64 14.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.68 -46.85 87.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -52.06 -43.6 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 m -58.33 -36.06 72.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.53 133.68 47.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.71 109.99 15.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 3.4 m -125.88 164.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.9 p -120.83 169.79 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 13.3 p -59.02 129.21 41.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 -21.83 37.08 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.662 HG22 ' N ' ' B' ' 60' ' ' GLU . 39.1 m -65.11 169.67 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.783 0.325 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.662 ' N ' HG22 ' B' ' 59' ' ' THR . 12.5 pt-20 -136.28 167.4 21.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.65 137.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -87.73 100.52 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.76 145.48 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.049 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.409 HG23 ' NE2' ' A' ' 3' ' ' GLN . 28.8 mt -131.81 116.76 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.439 . . . . 0.0 111.134 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.519 ' H ' ' HB3' ' A' ' 3' ' ' GLN . . . -138.95 114.9 10.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.849 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.629 ' NE2' HE21 ' A' ' 3' ' ' GLN . 32.1 mt-30 -135.96 130.98 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 110.655 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.869 ' H ' ' H2 ' ' A' ' 1' ' ' MET . . . 155.32 165.98 14.92 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' B' ' 69' ' ' ASP . 26.2 tp10 -72.59 69.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' B' ' 71' ' ' GLN . 2.9 m-20 175.17 -71.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.672 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.573 ' OE1' ' N ' ' A' ' 2' ' ' VAL . 7.5 pt-20 29.56 33.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.12 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' B' ' 69' ' ' ASP . 31.0 tt0 -75.1 -52.46 10.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.538 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' B' ' 72' ' ' GLU . 20.0 mp0 -63.19 -33.54 75.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' B' ' 77' ' ' LEU . . . -57.73 -54.65 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.761 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 34.7 mt -82.88 -43.23 16.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.369 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' B' ' 71' ' ' GLN . 29.0 tt0 -69.43 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -77.26 -64.36 1.16 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 73' ' ' ALA . 6.1 mt -50.41 -52.24 39.4 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.772 -177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.77 -32.05 65.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.543 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.99 -41.08 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -74.15 -34.6 63.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLU . 55.9 t -68.37 -15.55 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.484 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' B' ' 84' ' ' GLU . 21.6 mt-30 -119.48 69.4 0.83 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 82' ' ' GLN . 48.9 mt-10 -36.41 94.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' B' ' 82' ' ' GLN . 16.0 tp10 -174.41 77.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 84' ' ' GLU . 4.0 m . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.682 ' CB ' ' H ' ' B' ' 67' ' ' GLY . 6.3 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 3' ' ' GLN . 59.1 t -158.26 161.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.46 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' N ' HG12 ' A' ' 2' ' ' VAL . 3.6 pt20 -166.87 143.58 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.772 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -142.17 167.48 22.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.449 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -71.12 157.08 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.417 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.17 171.61 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.6 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -118.74 140.19 50.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 t -72.74 142.76 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -152.8 -3.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.2 mp -49.81 164.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.77 160.83 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -143.81 148.17 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.72 -166.24 36.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt -80.77 154.6 27.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.8 -36.17 14.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.256 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -63.01 -49.34 81.91 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.027 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 17' ' ' ARG . 37.9 Cg_exo -56.21 -42.49 65.65 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.454 2.103 . . . . 0.0 112.101 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.25 82.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.48 99.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.72 -39.16 93.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 35' ' ' LEU . 57.5 t80 -46.04 -43.02 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.538 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 45' ' ' LYS . 60.7 t -73.12 -34.21 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.632 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.05 -26.51 66.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.646 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -45.5 51.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' PHE . . . -77.13 -26.37 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -49.86 -29.75 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.68 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -93.06 -11.52 32.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.287 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' ALA . 90.4 m-85 -138.68 114.52 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.575 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ASP . 24.5 p -90.67 37.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' O ' ' A' ' 32' ' ' ASP . 20.5 p -75.19 14.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 31' ' ' SER . 1.5 m-20 49.5 103.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.703 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 3.2 t -109.67 128.47 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE2' ' O ' ' A' ' 43' ' ' ASN . 36.5 m-85 -132.94 121.81 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.637 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' PHE . 13.2 mt -95.93 121.55 37.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.194 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' LYS . 19.1 tt0 -116.7 158.6 23.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.895 0.378 . . . . 0.0 110.787 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 pttp -178.89 131.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.19 23.93 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.81 -23.92 14.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.32 151.02 21.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.782 0.325 . . . . 0.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -145.99 -179.49 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.674 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.75 174.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.514 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.702 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 56.8 t30 -43.16 -65.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.397 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB1' ' O ' ' A' ' 33' ' ' VAL . . . 157.98 -28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' VAL . 16.6 pttt -179.79 54.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.404 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.85 142.65 49.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 47' ' ' ILE . 3.4 mt -65.79 -50.24 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.45 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.5 -23.37 25.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.628 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.09 -54.91 3.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.73 -28.11 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.56 -16.73 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -50.08 -61.25 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -161.18 -169.13 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.58 166.49 24.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.522 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 56' ' ' SER . 15.2 m -96.36 -149.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.493 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 55' ' ' VAL . 29.0 m -144.31 149.28 35.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' THR . 8.5 t -46.93 124.99 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.89 -29.92 10.52 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.1 m -62.42 137.05 58.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.447 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.92 160.08 15.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.664 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.72 136.98 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.362 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.9 m -88.01 115.69 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -89.33 144.86 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.094 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.487 HG23 HE22 ' B' ' 3' ' ' GLN . 76.8 mt -135.36 116.82 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 2' ' ' VAL . . . -154.23 114.71 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.83 136.01 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.47 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.664 ' H ' ' CB ' ' B' ' 1' ' ' MET . . . 142.97 -168.66 25.94 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -90.7 59.83 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.79 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.84 2.37 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.429 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 75' ' ' GLU . 11.0 tt0 -51.81 -50.47 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.897 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -59.29 -47.15 86.44 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.487 -179.744 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -51.1 -54.73 22.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.12 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 4.8 tp -82.49 -48.27 11.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.805 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 71' ' ' GLN . 18.6 tt0 -69.21 -66.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -79.45 -64.96 1.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' GLU . 2.0 tp -49.75 -47.52 50.76 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 74' ' ' LEU . . . -56.32 -34.15 66.27 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.203 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.63 -32.84 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.155 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -77.23 -48.53 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 81' ' ' VAL . 55.1 t -59.14 -16.81 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.395 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' GLU . 16.2 mt-30 -116.61 62.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.42 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' GLN . 29.5 mm-40 -36.75 96.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' GLN . 22.5 mt-10 -56.4 -179.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.575 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.664 ' CB ' ' H ' ' A' ' 67' ' ' GLY . 6.2 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.583 HG12 ' N ' ' B' ' 3' ' ' GLN . 58.5 t -158.16 162.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.425 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.583 ' N ' HG12 ' B' ' 2' ' ' VAL . 3.6 pt20 -167.55 143.4 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -142.15 167.36 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.388 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -71.06 157.07 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -148.12 171.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.89 140.14 50.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.66 142.86 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -153.02 -3.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 10' ' ' LEU . 10.2 mp -49.83 164.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.78 160.82 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -143.86 148.08 34.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.86 -166.34 37.04 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -80.68 154.66 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.81 0.338 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -78.02 -163.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.25 14.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.485 ' N ' ' CD ' ' B' ' 18' ' ' PRO . 0.9 OUTLIER -62.98 -49.31 82.21 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.021 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 17' ' ' ARG . 39.6 Cg_exo -56.19 -42.63 64.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.131 . . . . 0.0 112.028 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.1 82.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.56 98.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.72 -39.25 93.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . 0.428 ' CZ ' HD11 ' B' ' 35' ' ' LEU . 57.4 t80 -45.9 -43.01 13.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.561 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' B' ' 45' ' ' LYS . 60.3 t -73.14 -34.26 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -59.94 -26.7 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.63 -45.43 52.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.573 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' B' ' 29' ' ' PHE . . . -77.16 -26.4 53.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -49.87 -29.82 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.643 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -93.02 -11.49 32.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.351 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 26' ' ' ALA . 90.5 m-85 -138.6 114.47 9.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.405 ' C ' ' H ' ' B' ' 32' ' ' ASP . 24.1 p -90.69 37.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.626 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 32' ' ' ASP . 20.6 p -75.25 14.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' B' ' 31' ' ' SER . 1.5 m-20 49.42 103.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.709 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t -109.67 128.58 65.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.196 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 43' ' ' ASN . 36.5 m-85 -133.01 121.75 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.659 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' B' ' 22' ' ' PHE . 13.2 mt -96.02 121.46 37.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.175 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' B' ' 37' ' ' LYS . 19.2 tt0 -116.6 158.51 23.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.869 0.366 . . . . 0.0 110.784 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 16.4 pttp -178.81 131.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 57.13 23.87 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.88 -23.99 14.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.28 151.05 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -146.05 -179.44 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.743 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.77 174.01 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.46 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.723 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 56.9 t30 -43.09 -65.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' B' ' 43' ' ' ASN . . . 157.96 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.495 ' O ' HG22 ' B' ' 23' ' ' VAL . 16.7 pttt -179.72 54.32 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -132.86 142.66 49.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.75 -50.24 72.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.469 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 21.2 ttt -55.47 -23.46 25.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.99 -54.94 3.94 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.69 -28.21 68.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 110.565 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.48 -16.89 10.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -50.04 -61.37 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.581 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.477 ' C ' HD12 ' B' ' 53' ' ' LEU . 0.4 OUTLIER -161.1 -169.18 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.48 166.56 24.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 56' ' ' SER . 15.1 m -96.44 -149.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.453 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.473 ' N ' HG23 ' B' ' 55' ' ' VAL . 28.2 m -144.25 149.25 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' THR . . . . . 0.471 HG23 ' O ' ' B' ' 57' ' ' THR . 8.5 t -46.95 125.19 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.92 -30.16 10.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 29.6 m -62.44 137.04 58.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.525 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.91 160.01 15.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 6.2 p -136.65 137.02 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 17.1 m -88.14 115.78 25.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.3 tp -89.35 144.67 25.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.173 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.519 HG23 HE22 ' A' ' 3' ' ' GLN . 76.7 mt -135.21 116.92 20.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.816 0.341 . . . . 0.0 110.81 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 2' ' ' VAL . . . -154.34 114.62 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.307 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.79 136.32 38.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.878 0.37 . . . . 0.0 110.452 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.682 ' H ' ' CB ' ' A' ' 1' ' ' MET . . . 142.76 -168.41 25.94 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.06 59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.734 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' B' ' 71' ' ' GLN . 0.5 OUTLIER -177.74 5.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.624 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -60.76 2.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.538 ' O ' ' N ' ' B' ' 75' ' ' GLU . 11.0 tt0 -51.72 -50.49 60.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -59.31 -47.19 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.397 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.542 ' N ' ' CD ' ' B' ' 72' ' ' GLU . . . -51.14 -54.6 23.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.108 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 4.8 tp -82.59 -48.21 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 0.0 111.788 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 71' ' ' GLN . 18.8 tt0 -69.26 -66.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -79.56 -64.84 1.09 Allowed 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' B' ' 72' ' ' GLU . 2.0 tp -49.79 -47.44 51.2 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 74' ' ' LEU . . . -56.34 -34.18 66.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.245 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.64 -32.75 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -77.14 -48.72 16.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.493 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.1 -16.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.436 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 84' ' ' GLU . 16.2 mt-30 -116.48 63.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 82' ' ' GLN . 29.4 mm-40 -36.87 96.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.578 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' B' ' 82' ' ' GLN . 22.3 mt-10 -56.46 -179.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.64 179.978 . . . . . . . . 0 0 . 1 stop_ save_