data_1i5j_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 1i5j _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.777 0.322 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -58.91 -28.67 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.62 -36.16 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -64.47 -61.0 2.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.515 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.11 -21.13 20.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -57.29 3.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.35 -35.24 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -36.62 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.792 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -60.33 -36.97 79.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -38.84 65.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.251 0.548 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -97.24 -15.89 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.194 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 8.0 mt-10 -53.29 -42.56 66.71 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.94 92.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.87 83.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.493 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.07 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -72.52 -59.59 2.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.429 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -27.05 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.07 -25.57 40.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.64 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.228 -0.05 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 37.58 -74.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.481 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.5 -33.9 0.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.276 0.56 . . . . 0.0 110.439 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.9 mt -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -96.77 35.73 1.49 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.206 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -130.07 -39.03 1.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.05 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.21 -38.15 70.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 1.5 t80 -83.03 -55.1 4.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.481 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' A' ' 60' ' ' MET . 0.5 OUTLIER -76.6 19.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.83 -18.88 2.67 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.872 178.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -45.89 -34.16 3.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.674 0.749 . . . . 0.0 109.166 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t 178.51 32.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.71 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 75.45 42.9 0.21 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 53' ' ' TYR . . . -61.31 -33.09 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.585 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.433 ' H ' ' HA ' ' A' ' 54' ' ' SER . 16.8 mtt -135.66 -0.03 2.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.692 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -79.96 -56.59 4.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.7 m -95.0 -14.59 24.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.011 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.49 65.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.47 -24.92 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.338 0.589 . . . . 0.0 110.012 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.16 -20.39 28.02 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.853 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -94.29 -12.41 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -54.59 31.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -32.69 69.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -57.48 -30.65 65.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.408 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 1.1 tp60 -94.9 12.07 29.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' LEU . 99.2 t -106.24 -57.91 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.696 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.78 -37.13 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 -9.14 58.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.269 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 60.3 t -116.83 -18.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.8 pp -98.26 -37.99 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.088 0.47 . . . . 0.0 109.948 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -115.49 -7.31 12.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.346 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.16 35.9 92.56 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -137.72 -29.8 0.84 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' CA ' ' HB2' ' A' ' 72' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.537 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.817 0.341 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.19 -28.55 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.671 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -66.56 -27.44 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.32 -37.36 17.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.18 -60.63 3.16 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.16 0.505 . . . . 0.0 110.313 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.8 -17.57 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -82.55 -60.27 2.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -32.36 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.658 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 t -67.84 -45.51 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.686 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -69.76 -27.91 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.723 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -33.43 63.63 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.233 0.54 . . . . 0.0 109.686 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -18.58 13.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.782 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -71.41 -38.14 71.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -66.52 -40.15 89.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.158 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -61.97 -33.17 73.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.22 -24.04 37.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.3 m -74.84 -58.76 3.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.082 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.91 67.66 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.748 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -80.68 -24.48 38.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.934 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.563 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.622 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 31.1 mt-10 -61.83 -55.59 28.33 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.029 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -36.77 38.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -85.02 -12.73 52.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.875 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 2.5 ptm85 -173.01 97.0 0.12 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.939 0.4 . . . . 0.0 111.477 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -163.49 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.16 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.5 OUTLIER -47.72 -25.72 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.617 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -79.5 -58.37 3.23 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 121.03 0.443 . . . . 0.0 110.756 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 20.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.252 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.771 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -145.76 -50.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.062 178.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 15.9 m -96.07 7.89 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.738 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 76.7 m -130.7 -29.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.53 -50.61 2.89 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -61.77 -14.34 31.69 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.117 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -38.89 6.29 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.771 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -74.09 -31.96 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.253 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -79.58 -32.55 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -75.9 -31.27 59.11 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -22.93 12.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.318 0.58 . . . . 0.0 109.899 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.81 -20.64 36.25 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.762 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.7 mm -92.65 -8.46 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -53.54 18.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -62.28 -24.28 67.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.69 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -20.07 2.16 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.04 7.91 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.216 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 68' ' ' THR . 95.1 t -102.33 -47.99 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.675 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -81.87 -22.41 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.5 t -78.64 -7.2 57.39 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.32 -15.51 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD11 HG13 ' A' ' 71' ' ' VAL . 4.2 mt -123.48 -17.09 6.61 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -103.52 -9.77 19.03 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 122.053 -0.404 . . . . 0.0 110.997 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.29 40.86 0.85 Allowed Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.4 tt0 62.26 53.43 2.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.36 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 1.1 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.814 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.681 0.277 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -61.71 -26.03 67.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.01 -49.05 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.052 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.94 -36.78 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.238 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -61.48 -58.47 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.12 0.486 . . . . 0.0 110.27 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.83 -19.7 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.27 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -58.14 3.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.61 -31.65 70.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 m -64.43 -33.11 75.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.9 m -66.61 -33.91 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.531 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -33.79 63.73 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.28 0.562 . . . . 0.0 110.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -106.5 -15.45 14.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.063 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -55.73 -41.65 74.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.983 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.41 78.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -28.28 46.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.261 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -67.56 -47.67 69.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.96 21.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.225 0.536 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -32.54 36.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.698 0.285 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -53.13 6.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -42.17 63.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.24 -16.62 52.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.134 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 57.45 1.68 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.038 0.447 . . . . 0.0 110.795 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -113.06 -54.36 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.027 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -34.86 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.03 -56.23 4.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.39 17.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.013 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -119.77 -26.16 5.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 110.542 179.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.31 1.88 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.336 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.3 m -122.78 -29.5 3.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.566 0.222 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.03 -43.25 3.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.439 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 55' ' ' LYS . . . -69.17 -9.34 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.502 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -96.89 -36.19 10.66 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.5 OUTLIER -93.24 -36.45 12.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -80.42 -8.48 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.12 -31.57 72.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 p -55.42 -24.65 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.508 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.84 -24.86 24.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.306 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.2 mm -87.15 -6.2 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -45.9 71.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.223 0.535 . . . . 0.0 110.61 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -22.93 66.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 12.8 m-20 -53.53 -27.16 24.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.837 0.351 . . . . 0.0 111.244 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -90.17 7.53 37.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 98.3 t -98.8 -46.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.315 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.5 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -82.75 -21.99 34.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.996 0.427 . . . . 0.0 109.853 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 5.3 t -70.06 -21.35 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.854 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.08 -18.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.982 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 17.3 mt -114.61 -16.21 11.88 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -107.68 -15.13 14.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.446 0.566 . . . . 0.0 111.477 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.19 42.39 0.55 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.608 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 13.5 tt0 65.0 57.33 0.98 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' N ' ' HA ' ' A' ' 73' ' ' SER . 1.6 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.533 0.206 . . . . 0.0 111.318 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.444 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.1 m -63.55 -20.0 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.79 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' SER . 14.1 pt20 -63.75 -14.49 52.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.466 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.63 -36.24 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 0.0 110.869 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -67.09 -63.14 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.27 -19.93 50.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.128 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.44 -57.96 3.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.791 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.7 -32.01 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.171 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -67.12 -36.04 81.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 70.2 m -61.95 -35.47 78.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.494 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -34.91 60.59 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.341 0.591 . . . . 0.0 109.877 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 1.3 t-105 -101.12 -21.21 15.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.794 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -69.94 -35.93 74.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.732 0.301 . . . . 0.0 111.012 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -65.39 -36.96 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.47 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.28 86.76 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' TRP . 9.3 mmmm -79.05 -25.33 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.807 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -69.42 -54.17 15.71 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.153 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.15 -23.26 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.119 0.485 . . . . 0.0 110.258 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.17 -22.16 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.668 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.63 -55.48 34.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -30.19 45.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.957 0.408 . . . . 0.0 110.249 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.07 -21.03 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.542 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -110.62 20.73 17.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 15.1 p-10 -72.17 -58.98 2.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.311 0.576 . . . . 0.0 110.342 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' H ' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -46.79 -37.14 8.15 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.452 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.5 -55.05 9.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.542 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.445 ' HB2' ' N ' ' A' ' 61' ' ' SER . 10.8 p -82.73 16.89 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.166 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -123.28 -19.98 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.507 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.66 -36.96 1.56 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 109.7 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 5.0 t -174.8 26.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.105 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 57' ' ' THR . . . 81.27 39.91 0.06 Allowed 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.27 -39.63 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.228 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.423 ' HB2' ' CB ' ' A' ' 54' ' ' SER . 74.2 mtm -139.2 -0.13 1.86 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.835 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' HB2' ' A' ' 54' ' ' SER . 2.9 m -76.89 -31.77 56.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.99 0.424 . . . . 0.0 110.242 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 -16.29 38.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -30.81 68.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.451 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -53.67 -24.62 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.796 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.11 -25.82 50.72 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.647 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 4.9 mp -95.21 -15.48 7.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -49.0 63.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.732 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -25.46 39.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 1.2 m-20 -55.91 -22.41 25.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.59 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.19 6.88 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.366 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.9 t -106.23 -44.65 7.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -85.6 -25.6 26.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 46.8 t -70.83 -17.26 62.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.4 t -123.87 -18.84 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.023 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -117.23 -16.18 10.38 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 5.4 mttm -104.06 -16.59 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.417 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.5 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 65.99 58.02 0.77 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.678 -0.261 . . . . 0.0 111.562 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' N ' ' HA ' ' A' ' 73' ' ' SER . 22.6 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -61.43 -24.42 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.9 tp60 -55.6 -43.64 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.39 -39.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.457 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -59.31 5.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 110.309 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.42 -18.68 41.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.145 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.24 -57.7 3.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.432 179.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -39.52 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.022 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 m -65.31 -33.63 76.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.467 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.9 m -70.71 -31.44 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.308 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -35.14 62.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.199 0.523 . . . . 0.0 109.885 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -106.34 -15.88 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.899 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 9.5 tp10 -58.42 -43.85 88.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 t -61.31 -37.97 85.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 110.37 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.96 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -28.32 50.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.714 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.7 m -71.92 -58.56 3.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.318 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -22.38 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.3 -30.1 54.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.34 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 51.9 mt-10 -76.37 -53.69 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -50.99 -33.18 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.411 . . . . 0.0 110.398 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -92.7 -15.79 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.164 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -147.69 81.42 1.51 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.278 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -157.22 -49.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.867 179.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -42.37 -32.01 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.04 0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -82.44 -56.07 4.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.962 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 m -77.28 12.72 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.319 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 2.8 tttm -122.23 -9.92 8.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.698 0.285 . . . . 0.0 110.865 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.44 ' C ' ' HG2' ' A' ' 60' ' ' MET . 0.5 OUTLIER -119.12 3.71 11.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.3 t -122.22 -19.4 6.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.309 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.79 -46.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.563 0.221 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -64.08 -12.81 42.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.405 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.44 ' HG2' ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -100.18 -37.62 8.85 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.094 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' CB ' ' HE3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -73.56 -32.33 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.397 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 m -81.0 -23.54 38.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.43 72.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -53.59 -26.58 22.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.41 0.624 . . . . 0.0 109.603 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.06 -25.74 23.63 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.365 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 33.8 mm -86.72 -8.53 11.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.755 0.312 . . . . 0.0 111.076 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -48.4 81.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.658 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -27.28 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.576 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.3 OUTLIER -58.67 -19.02 35.74 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 10.28 35.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.2 t -98.92 -43.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.233 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -92.03 -20.39 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.162 0.506 . . . . 0.0 109.677 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -83.27 -10.92 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -125.37 -17.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.5 -12.89 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.569 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 5.0 mttt -108.14 -11.25 15.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.046 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.12 0.58 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.78 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 1.8 tp10 59.71 57.56 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.562 0.22 . . . . 0.0 111.578 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.555 ' N ' ' HA ' ' A' ' 73' ' ' SER . 1.5 mm-40 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.924 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -67.73 -17.28 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -77.4 -11.12 59.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.9 -36.96 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -62.0 1.81 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.149 0.499 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.21 -20.41 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.359 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -77.36 -58.04 3.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.57 -34.35 76.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.384 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -37.57 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 14.6 m -64.59 -33.65 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -35.55 66.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -18.52 17.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.77 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 31.7 tt0 -60.0 -32.97 71.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.064 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -43.2 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.38 . . . . 0.0 110.324 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -34.36 77.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -23.13 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.201 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -69.67 -55.81 8.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -24.13 54.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.156 0.503 . . . . 0.0 110.231 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.36 -36.73 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.067 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.783 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.645 0.26 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.45 46.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.61 24.12 0.73 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.969 0.414 . . . . 0.0 110.751 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.61 -35.87 4.1 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -131.75 10.6 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.664 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -48.99 79.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.69 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.44 -33.7 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -69.14 -55.44 10.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.647 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -82.59 16.24 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.838 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -113.2 -24.8 9.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.851 0.358 . . . . 0.0 110.402 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.5 m -103.55 -28.22 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.43 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.2 p -101.9 -28.78 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.35 10.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.738 0.304 . . . . 0.0 110.789 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 -14.5 62.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.41 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 mtt -100.11 -32.77 10.76 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.301 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 -21.6 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -80.46 2.22 26.05 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.393 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.45 67.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.55 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -52.11 -25.99 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.949 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.9 -24.46 29.91 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.69 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -91.25 -9.83 10.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 111.062 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -46.35 74.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.63 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.773 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.03 -31.62 63.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.03 -2.35 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 57.4 t -99.69 -66.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -29.97 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.967 0.413 . . . . 0.0 110.418 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.493 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 6.0 m -70.66 -27.64 64.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.997 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.2 t -101.97 -20.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.985 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 90.6 mt -68.4 -46.84 68.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 -67.6 0.56 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.283 0.563 . . . . 0.0 111.284 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.69 51.68 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.964 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 79.62 63.14 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.013 -179.763 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.662 0.268 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.23 -34.92 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -7.2 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -112.12 -36.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.26 -21.11 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -57.08 4.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.335 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.055 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -70.92 -43.95 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -65.08 -32.27 73.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -35.55 70.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.315 0.579 . . . . 0.0 109.684 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -97.22 -18.97 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.522 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -38.16 83.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.984 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.84 -38.21 90.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.324 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.57 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -24.08 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.332 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.8 m -72.99 -43.78 61.82 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.35 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.13 0.491 . . . . 0.0 110.229 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.73 23.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 5.4 mm-40 -79.12 -48.82 13.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -36.91 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.427 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -18.54 22.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.367 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -137.97 83.34 1.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.006 0.431 . . . . 0.0 111.717 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -177.59 -44.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.641 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -30.75 2.05 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.052 0.453 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.96 -56.6 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -86.06 14.97 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.89 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -113.3 -28.32 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 0.0 110.655 179.315 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.436 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 76.6 p -107.07 8.21 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.4 t -123.85 -22.57 4.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 -46.0 0.71 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 111.581 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -56.42 -19.03 13.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.662 0.268 . . . . 0.0 111.144 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.6 OUTLIER -120.87 -34.35 3.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.136 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.501 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.4 -25.52 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.016 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -91.03 8.32 35.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.222 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -30.41 63.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.922 0.391 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -54.02 -22.58 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.056 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.26 -21.66 60.24 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.71 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 mp -101.66 -23.89 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 110.447 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -49.1 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.309 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -24.64 51.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.616 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 73' ' ' SER . 0.4 OUTLIER -60.58 -13.81 16.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.644 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 9.75 22.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.543 0.211 . . . . 0.0 111.472 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG11 HD21 ' A' ' 75' ' ' LEU . 46.2 t -100.26 -65.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.175 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -73.64 -28.39 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.4 t -66.75 -22.08 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.79 -22.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.5 pp -98.56 -22.88 15.74 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.056 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -106.68 -8.7 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.734 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.49 44.45 2.73 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 77.14 61.04 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.431 -0.384 . . . . 0.0 111.284 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' H ' ' HA ' ' A' ' 73' ' ' SER . 4.7 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.99 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.85 0.357 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -54.24 -24.92 20.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.243 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -38.86 73.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.46 -35.84 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -60.97 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.656 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.7 -21.7 19.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.356 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -58.47 3.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.797 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -26.69 68.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.473 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -69.46 -32.2 70.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -65.13 -36.18 83.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -36.84 74.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.696 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -93.48 -16.07 24.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.918 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.9 tt0 -57.62 -38.75 75.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -42.34 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.223 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.46 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -79.02 -25.25 43.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.223 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.1 m -61.92 -40.19 94.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.31 -21.81 16.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.04 -37.18 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.268 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.753 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 5.7 m-20 . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 121.094 0.473 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 17.4 mt-10 84.73 -62.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.203 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -45.61 64.32 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.86 -27.8 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.742 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.44 26.93 3.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -104.49 -46.64 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.443 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -33.79 30.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.805 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -92.34 -53.17 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.341 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.98 25.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.34 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -144.59 -40.74 0.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.693 179.329 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -92.39 -19.54 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.2 m -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.274 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.65 -46.39 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.27 2.25 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.235 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.61 -33.57 2.75 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.587 0.232 . . . . 0.0 111.502 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -11.12 21.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -106.78 -11.93 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -24.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.21 -23.85 55.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.984 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.44 -15.51 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 CA-C-O 120.991 0.424 . . . . 0.0 110.983 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -48.36 55.7 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -27.74 46.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.46 -25.46 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.283 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.86 16.54 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 85.5 t -108.39 -64.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.753 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.553 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -69.53 -31.97 70.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -69.94 -13.27 62.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.255 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.9 t -121.16 -21.4 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 1.8 pp -126.87 -10.79 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.553 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.99 -12.09 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.421 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.5 40.52 0.93 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 5.3 tt0 64.89 61.35 0.79 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.494 -0.353 . . . . 0.0 111.389 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -60.62 -18.87 55.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.591 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -57.82 -58.66 7.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -55.3 -35.32 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.101 0.477 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.53 -60.76 2.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -56.28 -21.27 22.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.349 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -58.04 3.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.822 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -31.0 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -35.87 62.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 5.1 m -61.98 -35.66 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -39.01 66.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.984 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -96.94 -16.26 20.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.798 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 2.8 tm-20 -67.94 -27.72 66.86 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.408 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -45.7 81.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.612 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.08 79.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -76.19 -19.25 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.393 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -62.78 -41.11 99.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -20.1 34.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.977 0.418 . . . . 0.0 110.562 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.49 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.198 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.862 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.772 0.32 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -77.68 -52.62 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -33.8 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.46 -17.02 35.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.73 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -154.3 91.6 1.44 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -146.32 -57.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.728 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.97 -30.2 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.8 t80 -87.97 -54.97 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.36 30.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 1.1 ttpm? -151.35 -46.08 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 -8.87 59.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 90.9 m -117.15 -33.89 4.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.05 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.12 -54.38 2.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.558 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -65.48 -8.88 21.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 mmm -87.71 -51.44 5.87 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.798 0.333 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -86.52 -23.92 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.265 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -85.65 -8.8 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.692 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -71.18 -31.89 68.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.918 0.389 . . . . 0.0 110.738 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -22.15 27.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.939 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.59 -19.1 30.65 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.88 -14.59 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -63.07 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -25.23 61.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.21 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -24.79 21.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.364 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.31 11.09 37.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.189 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.13 -40.51 5.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.308 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -93.72 -19.47 21.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 36.3 t -77.63 -18.63 56.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.722 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.65 -18.4 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -115.34 -15.21 11.59 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 7.4 mmtt -106.73 -11.59 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.389 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.41 1.04 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.241 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 17.3 tt0 64.6 57.11 1.13 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.707 0.289 . . . . 0.0 110.988 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 3.8 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.95 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 10.4 tt0 -66.75 -19.44 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.79 -36.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.402 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -66.22 -62.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.385 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.23 -20.71 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.12 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.07 -56.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -38.78 90.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.141 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -35.3 80.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.23 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 m -64.45 -34.27 77.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.374 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -37.73 50.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.262 0.553 . . . . 0.0 109.815 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -98.52 -21.36 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.46 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.93 -34.52 66.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.383 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -64.62 -38.39 90.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.85 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.05 -25.24 40.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.15 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.8 m -63.53 -38.24 90.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.538 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.96 -21.0 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.19 -33.17 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.37 0.605 . . . . 0.0 110.84 179.86 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.696 0.284 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.58 -43.7 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -41.5 66.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 109.954 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -20.54 32.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.608 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 68.49 1.2 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -144.45 -48.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.9 -36.83 28.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.44 -55.92 6.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.209 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 p -82.94 16.48 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.296 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 22.7 tptp -116.31 -26.68 7.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.903 0.382 . . . . 0.0 110.429 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.3 p -108.3 -19.54 13.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.6 m -105.74 -16.54 14.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.185 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.77 -37.96 3.35 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.771 0.319 . . . . 0.0 111.332 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -85.47 5.47 31.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.8 mtt -125.84 -42.24 1.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -27.0 53.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -85.68 4.53 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.383 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -30.46 62.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.966 0.412 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -52.93 -25.34 11.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.42 -22.08 32.86 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.707 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mm -92.6 -12.49 8.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -56.25 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.34 -25.92 63.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.169 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -57.81 -32.63 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.43 6.13 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 68' ' ' THR . 83.5 t -93.12 -40.94 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.27 -25.07 18.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 10.8 t -76.84 -15.28 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.984 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -125.18 -16.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.99 -7.78 8.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.493 0.924 . . . . 0.0 113.493 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.598 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 4.9 mptt -114.59 -10.51 12.51 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.962 -0.461 . . . . 0.0 111.464 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 112.71 51.36 0.53 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 pt-20 51.87 58.26 5.65 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.821 0.343 . . . . 0.0 111.781 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' ' HA ' ' A' ' 73' ' ' SER . 6.2 tt0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -54.66 -24.24 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' SER . 2.0 mt-30 -63.25 -49.0 75.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.604 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.95 -34.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -64.64 -61.61 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.423 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.29 -21.58 59.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.31 -56.22 4.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.863 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -32.17 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.509 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -71.15 -39.83 71.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -64.43 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -35.52 68.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -99.89 -17.89 17.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.837 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.67 -38.8 77.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.186 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -39.84 94.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.89 78.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -23.87 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.172 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.0 m -75.92 -56.45 4.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.328 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -23.24 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.32 -23.28 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.866 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.64 -48.49 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -50.58 -33.72 23.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.093 0.473 . . . . 0.0 110.249 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.12 -22.81 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.46 8.4 44.69 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.611 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -82.76 -48.72 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.624 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -34.34 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.093 0.473 . . . . 0.0 110.741 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.49 -54.6 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.3 21.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.422 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.1 tmtm? -133.92 -35.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -98.1 -17.14 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 m -111.72 -23.78 10.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.29 -43.29 4.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.65 0.262 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.55 1.65 32.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 97.6 mmm -119.55 -36.79 3.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 t -83.33 -14.49 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -67.75 -39.34 84.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -31.41 53.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.32 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -53.66 -24.69 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 109.928 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -23.27 63.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.586 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.16 -13.99 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -49.06 44.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -24.23 48.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -58.26 -27.96 64.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.294 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -93.81 1.25 56.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.502 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.6 t -98.3 -70.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.601 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -51.34 -28.21 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.122 0.487 . . . . 0.0 110.284 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.495 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 1.5 m -70.75 -29.12 65.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.853 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.97 -20.39 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.041 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.3 mt -68.14 -47.7 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.75 -68.01 0.55 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.37 0.605 . . . . 0.0 111.238 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.15 50.81 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.92 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' N ' ' HA ' ' A' ' 73' ' ' SER . 11.5 tt0 79.72 56.95 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.198 0.523 . . . . 0.0 110.26 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.857 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -48.57 -27.58 2.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.595 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -57.12 -39.12 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.5 -35.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.5 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -61.32 -60.26 4.0 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.1 -20.37 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.04 3.51 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.825 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.332 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.4 m -65.09 -33.96 77.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -37.42 69.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.307 0.575 . . . . 0.0 109.738 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.23 -20.25 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.522 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.35 -39.55 89.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -38.11 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.366 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.89 81.23 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -26.93 51.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.339 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -67.07 -43.99 81.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.92 18.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.266 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.83 -35.07 38.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.28 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.53 -46.1 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.744 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -28.02 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.83 -23.42 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.77 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 ttp85 -112.89 30.98 6.73 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.31 -48.74 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.408 . . . . 0.0 110.72 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.4 OUTLIER -51.88 -25.51 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.86 -57.35 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 m -90.94 32.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.035 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 -43.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 26.8 m -91.2 -2.86 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.638 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -123.55 -37.26 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.57 -51.63 4.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.73 -10.16 50.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -38.55 18.39 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.091 0.472 . . . . 0.0 110.268 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -27.98 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.63 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -72.52 -21.48 61.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -30.63 69.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 110.415 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.1 p -54.16 -25.22 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.714 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.23 -20.28 30.67 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.732 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.2 mm -93.27 -13.89 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -51.64 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.46 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.75 -26.05 21.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.295 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -93.46 6.55 47.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.246 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.85 -43.59 11.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -89.48 -23.81 21.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 45.1 t -72.1 -19.17 61.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -123.09 -19.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.52 -15.01 12.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 8.0 mmtm -106.59 -12.56 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.283 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.02 43.54 1.0 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 66.4 54.77 0.88 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.723 0.297 . . . . 0.0 110.792 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 58.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.777 0.322 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -29.13 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.688 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -66.66 -24.87 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.218 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.93 -36.63 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.485 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.94 -61.24 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.26 -20.52 18.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.28 -57.65 3.67 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.076 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.55 -33.92 75.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -68.25 -34.98 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.787 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -65.31 -34.1 77.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -40.36 66.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.196 0.522 . . . . 0.0 109.827 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -92.44 -20.31 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.504 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.42 -36.41 65.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.764 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.58 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -21.76 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.298 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -75.75 -48.68 20.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.2 51.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.05 -27.65 21.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.625 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.723 0.297 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.73 -47.06 82.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -49.67 -32.43 13.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.0 109.996 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.11 -30.47 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.205 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -100.97 28.18 5.46 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -39.51 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.97 -37.45 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.965 0.412 . . . . 0.0 110.784 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -59.66 -56.49 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.751 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -86.22 17.36 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.79 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 7.2 mtpp -116.72 -30.87 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.901 0.382 . . . . 0.0 110.471 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -106.3 -24.88 12.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.396 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 m -99.88 -25.76 14.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.0 -38.27 10.3 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.754 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' LYS . . . -62.7 -18.3 62.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.766 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -103.07 -34.11 9.01 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.053 0.454 . . . . 0.0 110.865 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' MET . 12.0 t -79.56 -33.89 41.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -72.21 -27.05 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -31.13 66.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -54.39 -24.12 18.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.921 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.5 29.46 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.608 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mm -89.58 -13.02 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.952 0.406 . . . . 0.0 110.991 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -48.3 79.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -53.32 -28.32 27.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.68 10.83 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.438 ' CG1' ' CD2' ' A' ' 75' ' ' LEU . 83.8 t -104.26 -58.39 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.032 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -73.32 -28.58 62.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.251 0.548 . . . . 0.0 109.545 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 25.7 t -69.36 -13.28 62.29 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.977 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 t -122.73 -22.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CD2' ' CG1' ' A' ' 71' ' ' VAL . 1.9 pp -125.45 -4.14 7.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.621 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -112.84 -10.67 13.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.555 0.616 . . . . 0.0 111.527 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 114.74 50.54 0.48 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.3 pt-20 52.3 58.23 5.63 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.471 -0.364 . . . . 0.0 111.71 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.9 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.972 0.415 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -64.36 -26.36 68.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.7 mm-40 -65.26 -34.07 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 t -68.71 -39.75 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.24 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.4 -18.55 28.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.526 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.07 -58.04 3.47 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.86 -33.67 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 38.5 t -72.09 -40.99 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.426 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.2 m -60.1 -34.2 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.726 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.8 61.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.145 0.497 . . . . 0.0 109.961 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -101.31 -16.33 16.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.776 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.7 tt0 -74.36 -35.83 63.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -65.29 -41.41 94.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.179 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.1 79.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -77.69 -27.02 50.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.151 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 m -63.49 -44.16 95.18 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.94 36.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.079 0.466 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -35.28 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.497 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.091 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.709 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -103.82 -56.64 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.198 0.523 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -21.43 65.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.646 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.39 -13.27 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.281 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.31 77.87 0.23 Allowed 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.588 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.709 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 5.6 m-20 175.41 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp -47.55 -29.69 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.83 -53.64 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.848 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.72 18.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.49 -31.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 178.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -100.83 -20.1 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.292 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 6.5 p -111.22 -16.65 13.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.659 0.266 . . . . 0.0 111.2 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -112.07 -40.59 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.34 6.6 36.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.671 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 mtp -148.26 -29.66 0.3 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -106.45 19.15 20.93 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.539 -179.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 63.3 m -136.33 -34.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.501 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -33.13 73.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.0 110.383 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.0 p -55.52 -23.04 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.746 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.46 -24.09 22.33 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.81 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 66' ' ' ILE . 23.5 mm -88.3 -14.83 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-O 121.131 0.491 . . . . 0.0 110.962 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -50.15 75.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -24.34 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.855 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.46 -23.49 39.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.74 22.31 15.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -116.15 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -76.47 -34.04 58.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.947 179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.73 -13.0 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 0.0 109.893 178.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 74' ' ' VAL . 98.6 t -106.48 -20.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.26 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 72' ' ' LEU . 1.6 pp -99.03 -43.56 6.63 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.837 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -3.31 7.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.037 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 67.23 42.44 90.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.578 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.9 mm-40 -130.55 -9.42 4.08 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HB3' ' CB ' ' A' ' 73' ' ' SER . 5.2 pt-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.541 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.656 0.265 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -70.91 -17.89 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.0 OUTLIER -67.66 -21.63 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.082 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -98.07 -37.2 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -65.34 -61.44 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.166 0.508 . . . . 0.0 110.478 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.65 -20.07 30.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.343 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.01 -58.84 3.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.51 179.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -33.81 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.184 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -33.98 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.492 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.8 m -63.91 -35.25 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.679 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -37.12 65.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.15 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -101.82 -14.99 17.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.101 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 5.0 tm-20 -60.92 -35.06 75.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -65.77 -41.81 91.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.026 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.18 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -78.69 -26.54 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.199 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.3 m -68.21 -51.36 46.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.74 -24.17 14.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.305 0.574 . . . . 0.0 110.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -40.64 26.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.065 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.474 0.654 . . . . 0.0 110.436 179.608 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.542 0.21 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 4.2 pt-20 -77.58 -43.68 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.068 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -56.04 -35.52 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.107 0.479 . . . . 0.0 109.929 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.87 -21.08 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.917 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 7.4 mmm180 -84.41 -13.65 51.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.71 0.29 . . . . 0.0 111.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -69.54 -46.76 65.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.933 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -46.49 -31.16 2.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.002 0.43 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -76.93 -56.35 4.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.043 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -77.43 10.34 2.62 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -115.07 -21.92 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.742 0.306 . . . . 0.0 110.798 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.526 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 21.5 m -111.25 8.32 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 -22.37 6.55 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.664 0.268 . . . . 0.0 111.708 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -62.09 -14.09 33.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.361 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.566 ' HG3' ' N ' ' A' ' 61' ' ' SER . 1.3 ptm -109.54 -35.59 6.19 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.382 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.566 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -74.41 -28.33 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.442 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -87.83 -34.56 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -32.06 49.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.459 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -25.09 13.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.286 0.565 . . . . 0.0 110.014 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.28 -21.45 29.74 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.009 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mm -94.2 -18.22 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-O 121.045 0.45 . . . . 0.0 111.104 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -60.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.735 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -26.16 67.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.001 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.24 -27.0 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.262 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 9.47 39.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.347 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.6 t -103.44 -48.65 10.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.514 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -80.61 -29.3 36.86 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 109.649 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 11.2 t -67.12 -19.71 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.6 t -123.74 -19.22 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.57 -15.46 12.0 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -106.1 -14.69 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.293 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.11 42.87 0.88 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 67.52 57.76 0.55 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.619 -0.29 . . . . 0.0 110.977 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' N ' ' HA ' ' A' ' 73' ' ' SER . 1.2 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.017 0.437 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -68.83 -29.6 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.2 OUTLIER -66.07 -15.8 63.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.61 -35.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -61.58 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.44 -19.11 33.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -80.68 -57.27 3.64 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.09 -32.23 72.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -68.82 -46.4 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.069 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 52.2 m -68.26 -30.25 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.786 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -34.87 65.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.759 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -104.71 -17.44 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -63.55 -44.6 93.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.793 0.33 . . . . 0.0 110.356 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -37.93 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.51 75.87 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -27.87 42.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.012 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.5 m -74.3 -55.91 5.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.061 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.84 -24.48 36.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.03 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.48 -37.23 57.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.041 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.254 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.5 m-20 . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.15 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.987 177.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -40.62 -34.33 0.36 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.21 0.528 . . . . 0.0 110.659 -179.145 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.09 -22.16 10.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.796 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -86.69 8.18 23.54 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.378 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 m-20 -102.49 -39.08 7.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.48 -24.98 34.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.769 0.318 . . . . 0.0 111.122 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.409 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.4 t80 -100.1 -55.48 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 111.515 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -84.65 27.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.594 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -146.03 -37.19 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -97.52 -26.75 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 26.3 m -104.26 -22.15 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.44 -38.47 7.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.394 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -84.9 4.65 32.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.364 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -128.14 -26.29 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -23.22 13.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.599 0.238 . . . . 0.0 111.192 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -89.35 -11.16 44.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.535 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -28.87 66.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.473 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -53.73 -23.77 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.989 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.26 -22.21 57.33 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.736 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 5.2 mp -99.39 -22.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.196 0.522 . . . . 0.0 110.614 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.25 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -27.04 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.213 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -55.58 -27.05 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.076 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 15.3 tp60 -95.83 14.88 21.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' LEU . 89.3 t -110.2 -56.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.036 0.446 . . . . 0.0 110.24 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.42 -38.97 85.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.637 179.591 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 1.6 p -71.69 -18.45 62.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 42.1 t -105.47 -19.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.962 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.4 pp -100.58 -42.08 6.69 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -3.08 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.203 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 65.06 41.08 97.36 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -115.15 -32.53 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.919 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 70.9 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.239 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -50.34 -25.09 3.45 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -45.9 -43.93 14.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.984 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.28 -36.69 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.264 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.19 -59.9 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.42 -21.21 35.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.058 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.98 -56.65 4.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.607 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.04 -34.42 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.249 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.6 m -65.33 -33.51 76.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.246 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.571 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 56.0 m -64.64 -36.63 84.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -36.58 72.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.781 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -93.84 -17.14 23.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.845 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -63.88 -42.49 97.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.41 -38.53 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.023 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -77.69 -28.04 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.908 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.8 m -68.42 -55.85 10.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.316 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.3 -23.03 45.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.02 41.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.149 179.456 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.565 0.221 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -41.67 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -58.3 -25.73 62.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.235 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.58 -18.28 14.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 71.66 1.45 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 3.7 m-20 -139.87 -54.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.364 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -36.55 31.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.499 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -87.15 -52.49 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -72.86 12.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -116.02 -16.56 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.668 178.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 m -109.01 -21.04 12.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.894 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 p -113.59 -26.08 8.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.317 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.72 -50.76 3.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.03 -8.88 41.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.844 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.5 mmm -104.14 -48.35 3.9 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-O 120.917 0.389 . . . . 0.0 110.463 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -73.17 -13.19 61.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.028 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -65.08 -42.96 93.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.4 63.1 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.222 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -55.48 -23.06 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.254 0.549 . . . . 0.0 109.657 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.37 -23.88 32.9 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.269 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -86.58 -11.38 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.699 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -60.91 2.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.47 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -24.28 66.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.616 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.13 -27.14 65.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -96.43 7.97 45.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 73.6 t -99.4 -69.54 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.684 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -63.45 -28.66 70.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.166 0.508 . . . . 0.0 109.792 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.621 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 12.0 t -72.22 -10.66 60.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.95 -23.5 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.04 -7.19 6.01 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.684 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -106.36 -12.29 15.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.539 0.609 . . . . 0.0 111.571 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.48 41.67 0.67 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.399 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 63.42 56.23 1.68 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 120.556 0.217 . . . . 0.0 111.153 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.949 0.404 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -29.98 67.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.84 -5.86 45.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -111.68 -36.62 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -66.13 -63.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.303 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.52 -22.22 54.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.29 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -56.94 4.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.716 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -30.47 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.8 t -69.65 -34.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.5 m -64.97 -34.82 79.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.426 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -35.26 64.09 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.263 0.554 . . . . 0.0 109.971 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -102.88 -16.21 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.069 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 18.0 tt0 -61.53 -42.29 98.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -62.23 -36.67 82.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.016 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.52 82.07 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -28.97 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.933 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.8 m -67.47 -53.07 32.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.036 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.9 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.097 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.07 -30.38 34.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.388 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.324 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' H ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.326 0.584 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -145.57 -51.24 0.25 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.085 -178.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -121.05 -23.25 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.379 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.22 -18.73 13.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.274 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 3.2 mmt180 -138.76 37.16 2.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.495 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -97.66 -31.82 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -40.37 39.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.32 -55.87 21.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.539 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 67.5 p -74.48 4.83 5.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.99 -5.11 23.76 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.64 -31.45 0.77 Allowed 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.216 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 3.3 t -178.91 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 57' ' ' THR . . . 145.4 44.74 0.0 OUTLIER 'General case' 0 C--N 1.346 0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' A' ' 54' ' ' SER . . . -63.59 -32.78 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.238 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -92.92 -36.22 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.719 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -67.68 -36.95 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.7 m -58.47 -24.62 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -30.83 69.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -23.99 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.913 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.59 -20.57 28.9 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.803 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.46 -10.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 111.252 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -51.0 63.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -22.35 61.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.233 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -29.58 33.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.683 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.46 1.31 56.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.69 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.32 -64.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -55.78 -26.27 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.477 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 75.4 m -81.48 -15.36 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.7 t -112.1 -18.56 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.754 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.543 ' CD2' ' HA ' ' A' ' 72' ' ' LEU . 2.5 pp -82.76 -36.09 25.99 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.216 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.18 -78.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.232 0.539 . . . . 0.0 111.242 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -171.36 48.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.477 ' N ' ' HA ' ' A' ' 73' ' ' SER . 4.5 tt0 79.46 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.125 0.488 . . . . 0.0 110.298 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 23.9 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.874 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -53.7 -26.55 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.506 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.8 OUTLIER -69.75 -20.4 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.249 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 t -106.39 -34.94 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.44 -20.35 44.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.304 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.68 -58.27 3.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.687 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.14 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' GLU . 20.2 t -70.19 -39.5 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.078 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.8 m -60.48 -35.55 76.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -35.97 61.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 110.224 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -16.63 15.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.929 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 4.4 tt0 -64.83 -41.66 95.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.665 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -63.4 -36.21 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -35.85 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -28.64 34.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.011 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -69.74 -47.6 62.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.66 -22.79 37.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.097 0.475 . . . . 0.0 110.316 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.36 31.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.78 0.324 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 31.4 mt-10 -76.67 -48.22 19.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -56.4 -29.86 62.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.252 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -92.93 -18.1 23.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.041 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.7 ptt180 -176.44 105.96 0.07 Allowed 'General case' 0 C--N 1.338 0.085 0 CA-C-O 121.26 0.552 . . . . 0.0 111.857 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -175.74 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.497 179.143 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -29.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.122 0.487 . . . . 0.0 110.482 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -94.66 -53.96 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.073 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 p -82.71 24.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.0 mmtp -149.95 -44.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.664 0.269 . . . . 0.0 110.673 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 -16.63 22.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.445 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 85.4 m -112.8 -16.18 12.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.176 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -42.01 3.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.39 5.64 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.1 mtp -125.46 -32.86 2.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -85.26 -31.75 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.074 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -91.56 5.31 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.47 66.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.929 0.395 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 t -54.34 -24.59 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.55 -22.05 30.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.674 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mm -92.58 -10.36 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -51.08 59.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.14 33.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' SER . 0.4 OUTLIER -57.77 -21.52 41.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -100.79 13.34 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.267 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.22 -66.85 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.52 -24.95 64.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 14.7 p -75.78 -16.03 60.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.262 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.28 -21.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -119.4 -9.92 9.79 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -108.81 -6.2 15.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.368 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.84 46.41 1.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 9.9 tt0 63.76 57.82 1.34 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.611 -0.295 . . . . 0.0 110.876 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 72' ' ' LEU . 34.0 tt0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.948 0.404 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' SER . 13.3 tt0 -64.07 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -86.69 -37.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -60.51 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.462 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.37 -19.99 17.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.39 -57.93 3.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.409 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -33.72 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.708 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.8 m -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -35.93 64.75 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.209 0.528 . . . . 0.0 109.92 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -103.5 -15.56 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.89 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 33.8 tt0 -61.72 -37.46 84.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.676 0.274 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -62.99 -41.89 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.279 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.17 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -83.51 -22.98 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -65.87 -44.3 85.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.25 46.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.137 0.494 . . . . 0.0 110.281 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.99 -28.25 25.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.352 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 179.668 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.7 -41.77 87.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -50.88 -34.75 29.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 0.0 110.29 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.18 -21.5 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.866 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.55 18.28 15.79 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.681 0.277 . . . . 0.0 111.218 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -101.87 -44.02 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -44.28 71.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.515 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -53.06 36.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.87 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' N ' ' A' ' 61' ' ' SER . 89.8 p -72.35 7.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.003 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -133.96 -9.86 2.68 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.054 178.198 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 t -51.44 -32.64 27.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.6 m -145.89 -5.46 0.62 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.252 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 72.46 41.78 0.57 Allowed 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.0 -30.3 12.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.646 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 8.2 mmm -106.79 -0.01 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.611 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.472 ' N ' ' HB2' ' A' ' 54' ' ' SER . 39.0 t -102.43 -34.22 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.744 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 m -60.04 -38.8 83.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -30.68 42.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.56 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 t -52.88 -24.73 9.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.233 0.54 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.97 -24.23 72.43 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.482 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' HD11 ' A' ' 66' ' ' ILE . 5.0 mp -102.02 -20.23 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -47.0 76.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.286 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -25.81 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.53 -26.92 34.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -88.39 4.26 46.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -98.48 -44.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.51 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -81.88 -24.35 35.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.7 m -68.07 -20.46 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.029 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.38 -19.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.6 mt -112.23 -15.74 13.13 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 22.6 mttp -106.67 -15.24 14.81 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.113 -0.367 . . . . 0.0 111.406 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.38 42.9 0.79 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 2.5 tt0 67.69 57.25 0.54 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.641 -0.28 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' N ' ' HA ' ' A' ' 73' ' ' SER . 2.1 mt-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.826 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.901 0.381 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -66.37 -31.06 71.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.99 -36.75 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -60.62 2.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.152 0.501 . . . . 0.0 110.291 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -20.77 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -57.15 4.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.792 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -30.79 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.226 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.98 59.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.903 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 p -73.51 -31.64 63.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -38.57 73.53 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.268 0.556 . . . . 0.0 109.664 179.389 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -96.31 -17.19 20.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.875 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -57.84 -39.99 79.03 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.729 0.3 . . . . 0.0 110.746 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -63.45 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.185 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.02 82.39 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -75.25 -28.09 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.821 178.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 m -73.01 -60.08 2.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.163 179.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.42 45.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.153 0.501 . . . . 0.0 109.916 179.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.94 65.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.691 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.816 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.628 0.251 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 3.4 mp0 -81.12 -46.74 14.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.588 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -54.52 -24.77 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.9 -17.8 14.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.056 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -161.07 96.36 1.09 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.315 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -161.81 -50.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.493 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.59 -36.0 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.032 0.444 . . . . 0.0 110.738 179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.04 -57.08 10.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.45 14.78 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.865 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 3.9 ttpp -112.1 -12.82 13.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.049 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.9 p -118.35 -10.99 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.138 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -111.75 -8.87 14.13 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.585 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -139.51 -49.33 0.49 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.306 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' LYS . . . -58.59 -14.14 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.33 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.4 ptm -126.78 -41.18 1.85 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -42.49 53.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.591 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 39.2 m -71.92 -8.53 54.93 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -31.42 69.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.985 0.422 . . . . 0.0 110.361 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -56.03 -23.61 34.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.872 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.91 -20.21 29.12 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.811 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.0 mm -93.86 -8.84 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.79 71.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -28.77 16.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.411 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.7 OUTLIER -56.1 -24.04 37.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -89.17 1.51 55.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.577 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 88.4 t -100.77 -71.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.467 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.71 -26.98 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.359 179.223 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.517 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 19.4 m -71.78 -30.06 65.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.718 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -101.06 -20.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 83.6 mt -68.14 -46.14 71.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.648 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.0 -67.58 0.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.348 0.594 . . . . 0.0 111.328 -178.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.77 51.88 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.909 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.517 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.0 tt0 77.23 56.85 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.089 0.471 . . . . 0.0 110.191 -179.202 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.451 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 5.5 tm-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.911 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -67.39 -16.68 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.535 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -38.75 74.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.54 -35.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.722 179.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -60.56 3.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.262 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.18 -19.98 37.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.355 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -58.13 3.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.636 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.85 -31.76 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -71.81 -38.53 70.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.1 p -66.99 -31.86 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -36.15 60.46 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.274 0.559 . . . . 0.0 109.918 179.194 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -21.54 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.817 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 11.9 tt0 -66.08 -38.14 87.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -63.48 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.15 80.91 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -81.07 -24.97 37.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.382 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.48 -43.19 77.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -21.99 21.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.45 -31.66 24.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.538 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.601 ' HB2' ' CB ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 111.051 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 mt-10 50.52 26.99 2.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.437 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 50.23 29.75 3.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.594 0.712 . . . . 0.0 109.373 -178.502 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.34 -42.55 2.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.273 -179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.601 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.9 ttt180 -83.48 -5.67 59.23 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.283 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.03 -54.99 29.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.59 179.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.77 -32.66 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.713 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.46 -57.3 8.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 17.31 8.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.76 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -13.39 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -112.25 -26.51 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -105.68 4.98 30.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.764 -179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.65 -49.25 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.43 -11.45 33.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.488 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ptm -129.26 -41.82 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.749 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.82 -44.07 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.619 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.5 m -84.3 -17.89 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.498 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -30.93 67.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.903 0.383 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -25.27 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.322 0.582 . . . . 0.0 109.89 179.275 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.33 -20.42 30.0 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.7 mm -93.23 -12.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.9 0.381 . . . . 0.0 110.98 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -47.32 82.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -21.32 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -27.83 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.42 5.3 48.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 57.9 t -101.4 -64.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.787 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -56.33 -27.79 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.063 0.459 . . . . 0.0 109.899 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.4 t -74.11 -9.37 58.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.114 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.73 -22.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -133.02 -5.82 3.09 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -178.336 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -106.79 -12.18 15.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.971 0.805 . . . . 0.0 111.735 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.76 0.56 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.705 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.5 OUTLIER 62.3 59.13 1.63 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.479 0.181 . . . . 0.0 111.433 179.758 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' N ' ' HA ' ' A' ' 73' ' ' SER . 30.2 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.217 -0.896 . . . . 0.0 111.03 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -55.18 -26.65 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.4 tt0 -65.73 -45.97 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.497 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.4 -35.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.185 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.33 -19.69 56.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.247 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.01 -56.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.835 179.833 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.09 89.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.304 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -65.27 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.631 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 43.4 m -64.28 -35.05 79.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.428 179.536 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -40.64 61.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.18 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -97.16 -16.55 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.155 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 21.1 mt-10 -51.44 -41.63 60.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.334 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -62.14 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.54 75.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 -24.56 35.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.063 178.786 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -67.15 -48.78 67.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.88 35.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.92 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.553 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 56.4 mt-10 -77.17 -47.03 21.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.57 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -35.75 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 109.965 179.237 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 -16.01 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.251 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 87.26 1.71 Allowed 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 111.502 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 179.16 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 179.453 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.08 -34.53 22.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.46 . . . . 0.0 110.493 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.471 ' O ' ' HB ' ' A' ' 57' ' ' THR . 2.2 t80 -92.26 -53.43 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.692 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -81.76 27.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.614 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 8.9 ttmm -163.44 -53.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.21 10.11 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.841 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 39.6 m -133.51 -32.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 110.877 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.63 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' LYS . . . -66.82 -12.37 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.713 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -98.43 -33.75 10.91 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.0 0.429 . . . . 0.0 110.568 179.546 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.69 -30.1 32.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 179.674 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -73.09 -6.88 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -31.32 68.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.622 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -24.54 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.757 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -22.42 31.69 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.449 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.9 -12.45 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.766 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -64.77 -46.23 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.252 179.906 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -21.45 63.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.97 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -29.68 46.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 67' ' ' PHE . 5.3 pp0? -95.14 6.28 49.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.661 0.267 . . . . 0.0 111.517 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.2 -41.02 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 110.73 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -92.79 -19.07 22.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.517 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 30.2 t -78.15 -15.56 58.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 178.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.95 -16.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.947 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.12 -14.86 9.9 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 2.5 mttt -106.89 -10.87 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.13 -0.356 . . . . 0.0 111.249 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.97 43.96 0.91 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.26 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 61.85 58.31 1.97 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.292 . . . . 0.0 111.591 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.6 mm-40 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.704 179.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.796 0.331 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 m -48.45 -29.05 3.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.683 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 31.4 tt0 -60.15 -61.0 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.637 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.81 -34.71 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.69 -60.44 3.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.38 -20.29 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.165 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.52 -56.97 3.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -68.3 -39.65 81.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.627 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 70.5 m -66.48 -32.19 73.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -38.29 68.32 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.26 0.552 . . . . 0.0 110.006 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -100.49 -15.85 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.775 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 12.2 tp10 -62.62 -37.14 85.1 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -64.6 -42.08 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.17 81.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -24.99 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.945 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -72.62 -60.59 2.16 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.264 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.22 66.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.858 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.61 -40.29 49.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.87 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.333 -0.12 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.751 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 1.2 m-20 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.674 0.273 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.24 -46.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -54.14 -46.74 72.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.046 0.45 . . . . 0.0 109.938 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.07 -17.99 58.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.651 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -100.11 13.07 35.37 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.16 179.675 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -42.41 14.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.449 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.89 -39.02 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.91 -58.13 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 60' ' ' MET . 0.0 OUTLIER -80.24 17.59 1.01 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.086 -179.707 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 -19.0 7.28 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.61 178.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -33.85 1.79 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.557 0.694 . . . . 0.0 109.43 178.022 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t 179.55 29.9 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.152 179.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 76.97 42.08 0.15 Allowed 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.08 86.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.26 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.5 mmt -131.38 -1.6 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.552 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.7 p -83.44 -17.68 41.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.606 0.241 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 t -54.82 -45.82 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -32.77 71.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -55.58 -23.18 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.284 0.564 . . . . 0.0 109.878 179.182 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.66 -21.09 29.79 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 178.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.7 mm -90.03 -12.63 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -48.13 36.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -19.35 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.62 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -25.68 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.632 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -99.38 15.52 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LEU . 96.2 t -112.86 -53.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -72.18 -36.73 69.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.323 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.406 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -75.29 -9.38 58.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.584 178.606 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.02 -18.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.9 pp -102.26 -38.01 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.014 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' A' ' 78' ' ' GLU . 3.1 tttp -108.59 -8.01 15.57 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.439 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.22 34.4 89.86 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.86 -27.99 0.48 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.848 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 3.6 tm-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.622 -179.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.905 0.384 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.7 m -58.4 -31.45 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -74.2 -7.55 53.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.12 -35.79 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.399 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -65.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.809 179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.5 -21.32 59.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.057 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -56.06 6.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.357 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.03 -38.09 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.023 179.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.54 -34.99 76.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.206 179.387 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.1 m -61.09 -36.43 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -38.12 62.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.325 0.583 . . . . 0.0 109.862 179.379 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -99.47 -16.67 18.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.856 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 6.5 tt0 -67.51 -40.44 85.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.723 0.296 . . . . 0.0 111.022 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 -39.86 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.135 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.96 80.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.18 -27.87 57.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.835 178.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.8 m -73.31 -60.27 2.32 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.85 41.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -43.13 31.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.211 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.657 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.8 0.333 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -55.21 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -29.72 12.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.7 -19.29 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 0.47 44.61 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.355 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -71.66 -51.63 22.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.806 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.74 -31.14 4.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.56 -57.47 10.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.63 17.28 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.598 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -114.5 -29.62 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.375 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.3 p -109.4 10.08 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -130.54 -22.28 2.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.281 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.47 -44.47 2.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . . . -67.79 -12.78 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.338 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -111.77 -35.36 5.76 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.006 0.432 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -68.59 -23.18 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.954 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -79.74 -37.49 35.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -31.42 63.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -25.65 15.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.357 0.598 . . . . 0.0 109.808 179.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.73 -24.04 34.12 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.627 178.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -92.81 -13.04 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -47.05 85.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.408 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -53.27 -25.17 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.166 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -55.99 -27.88 54.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.9 0.381 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.57 13.29 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 98.4 t -100.87 -68.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.584 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -63.35 -28.66 70.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 179.35 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 t -70.07 -12.51 61.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.117 179.162 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.91 -21.32 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 3.5 pp -127.4 -9.06 5.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -103.22 -16.59 15.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.539 0.609 . . . . 0.0 111.292 179.645 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.79 40.47 0.52 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER 63.68 59.78 1.14 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.665 -0.267 . . . . 0.0 111.416 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.025 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.897 0.38 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -60.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -56.26 23.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -58.91 -28.67 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.62 -36.16 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -64.47 -61.0 2.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.515 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.11 -21.13 20.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -57.29 3.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.35 -35.24 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -36.62 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.792 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -60.33 -36.97 79.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -38.84 65.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.251 0.548 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -97.24 -15.89 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.194 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 8.0 mt-10 -53.29 -42.56 66.71 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.94 92.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.87 83.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.493 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.07 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -72.52 -59.59 2.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.429 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -27.05 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.07 -25.57 40.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.64 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -48.85 11.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -56.65 12.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -28.31 68.34 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -78.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.893 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -163.7 26.91 0.08 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.291 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -34.32 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 0.0 110.242 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 m -141.83 -21.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.237 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -64.22 0.84 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.919 0.39 . . . . 0.0 110.933 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.1 mt -152.51 48.93 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 73.8 Cg_endo -73.97 -24.62 14.96 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.42 2.08 . . . . 0.0 111.64 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 71.87 28.83 2.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.781 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 97.8 t -146.87 -88.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 66.19 98.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 37.58 -74.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.481 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.5 -33.9 0.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.276 0.56 . . . . 0.0 110.439 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' HG13 ' A' ' 45' ' ' VAL . 23.9 mt -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.257 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 6.0 ttp180 -96.77 35.73 1.49 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -130.07 -39.03 1.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.05 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.21 -38.15 70.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 1.5 t80 -83.03 -55.1 4.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.481 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' HA ' ' H ' ' A' ' 60' ' ' MET . 0.5 OUTLIER -76.6 19.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.83 -18.88 2.67 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.872 178.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -45.89 -34.16 3.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.674 0.749 . . . . 0.0 109.166 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t 178.51 32.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.71 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 75.45 42.9 0.21 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 53' ' ' TYR . . . -61.31 -33.09 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.585 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.433 ' H ' ' HA ' ' A' ' 54' ' ' SER . 16.8 mtt -135.66 -0.03 2.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.692 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -79.96 -56.59 4.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.7 m -95.0 -14.59 24.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.011 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.49 65.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.47 -24.92 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.338 0.589 . . . . 0.0 110.012 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.16 -20.39 28.02 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.853 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -94.29 -12.41 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -54.59 31.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -32.69 69.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -57.48 -30.65 65.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.408 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 1.1 tp60 -94.9 12.07 29.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' LEU . 99.2 t -106.24 -57.91 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.696 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.78 -37.13 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 -9.14 58.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.269 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 60.3 t -116.83 -18.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.8 pp -98.26 -37.99 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.088 0.47 . . . . 0.0 109.948 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -115.49 -7.31 12.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.346 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.16 35.9 92.56 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -137.72 -29.8 0.84 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' CA ' ' HB2' ' A' ' 72' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.537 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.554 0.216 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.63 -28.74 9.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.814 0.34 . . . . 0.0 111.354 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -100.23 -33.45 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.268 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.19 -28.55 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.671 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -66.56 -27.44 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.32 -37.36 17.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.18 -60.63 3.16 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.16 0.505 . . . . 0.0 110.313 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.8 -17.57 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.671 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -82.55 -60.27 2.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -32.36 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.658 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 t -67.84 -45.51 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.686 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -69.76 -27.91 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.723 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -33.43 63.63 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.233 0.54 . . . . 0.0 109.686 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -18.58 13.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.782 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -71.41 -38.14 71.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -66.52 -40.15 89.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.158 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -61.97 -33.17 73.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.22 -24.04 37.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.3 m -74.84 -58.76 3.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.082 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.91 67.66 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.748 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -80.68 -24.48 38.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.934 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.891 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -73.55 -45.96 50.34 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.563 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.689 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -62.03 -40.45 95.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.784 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -36.57 71.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -163.75 -7.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.561 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.891 ' HB2' ' HA ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -77.9 -49.78 13.53 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.055 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -73.24 -37.48 66.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.336 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.663 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 11.7 m -73.23 -21.64 60.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.294 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.585 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -57.98 -39.14 77.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.524 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 1.1 mt -143.99 -61.2 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.903 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' A' ' 39' ' ' LYS . 61.1 Cg_endo -71.75 62.11 3.02 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.126 1.884 . . . . 0.0 112.41 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 40' ' ' THR . . . -155.23 18.01 0.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.483 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -99.99 -40.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 110.03 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.622 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -69.62 -41.1 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.541 179.34 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 31.1 mt-10 -61.83 -55.59 28.33 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.029 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -36.77 38.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -85.02 -12.73 52.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.875 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 2.5 ptm85 -173.01 97.0 0.12 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.939 0.4 . . . . 0.0 111.477 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -163.49 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.16 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.5 OUTLIER -47.72 -25.72 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.617 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -79.5 -58.37 3.23 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 121.03 0.443 . . . . 0.0 110.756 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 20.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.252 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.771 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -145.76 -50.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.062 178.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 15.9 m -96.07 7.89 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.738 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 76.7 m -130.7 -29.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.53 -50.61 2.89 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -61.77 -14.34 31.69 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.117 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -38.89 6.29 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.771 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -74.09 -31.96 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.253 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -79.58 -32.55 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -75.9 -31.27 59.11 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -22.93 12.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.318 0.58 . . . . 0.0 109.899 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.81 -20.64 36.25 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.762 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.7 mm -92.65 -8.46 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -53.54 18.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -62.28 -24.28 67.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.69 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -20.07 2.16 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.04 7.91 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.216 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 68' ' ' THR . 95.1 t -102.33 -47.99 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.675 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -81.87 -22.41 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.5 t -78.64 -7.2 57.39 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.32 -15.51 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD11 HG13 ' A' ' 71' ' ' VAL . 4.2 mt -123.48 -17.09 6.61 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.69 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -103.52 -9.77 19.03 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 122.053 -0.404 . . . . 0.0 110.997 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.29 40.86 0.85 Allowed Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.4 tt0 62.26 53.43 2.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.36 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.7 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 1.1 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.814 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 15' ' ' LEU . 15.0 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.617 0.246 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 13' ' ' THR . 34.2 t80 67.06 -15.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 13' ' ' THR . 10.5 mt -88.13 -18.62 28.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.681 0.277 . . . . 0.0 111.114 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -61.71 -26.03 67.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.01 -49.05 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.052 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.94 -36.78 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.238 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -61.48 -58.47 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.12 0.486 . . . . 0.0 110.27 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.83 -19.7 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.27 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -58.14 3.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.61 -31.65 70.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 m -64.43 -33.11 75.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.9 m -66.61 -33.91 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.531 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -33.79 63.73 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.28 0.562 . . . . 0.0 110.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -106.5 -15.45 14.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.063 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -55.73 -41.65 74.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.983 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.41 78.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -28.28 46.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.261 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -67.56 -47.67 69.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.96 21.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.225 0.536 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -32.54 36.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.534 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 4.7 mt-30 -70.68 -32.91 70.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 3.9 t-20 -59.37 -39.43 83.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.083 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -33.48 13.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.173 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.75 -14.04 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -78.5 -23.75 46.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.616 0.246 . . . . 0.0 111.238 -179.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' C ' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -58.95 -19.09 39.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.029 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -125.49 -18.09 5.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.696 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.668 0.271 . . . . 0.0 111.528 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 15.3 mt -149.85 56.15 2.16 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.212 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 53.4 Cg_endo -89.37 -70.45 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.685 2.257 . . . . 0.0 112.661 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.12 57.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.774 0.321 . . . . 0.0 111.786 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 -47.85 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.61 -15.49 60.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.227 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -53.13 6.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -42.17 63.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.24 -16.62 52.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.134 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 57.45 1.68 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.038 0.447 . . . . 0.0 110.795 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -113.06 -54.36 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.027 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -34.86 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.03 -56.23 4.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.39 17.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.013 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -119.77 -26.16 5.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 110.542 179.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.31 1.88 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.336 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.3 m -122.78 -29.5 3.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.566 0.222 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.03 -43.25 3.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.439 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 55' ' ' LYS . . . -69.17 -9.34 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.502 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -96.89 -36.19 10.66 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.5 OUTLIER -93.24 -36.45 12.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -80.42 -8.48 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.12 -31.57 72.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 p -55.42 -24.65 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.508 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.84 -24.86 24.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.306 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.2 mm -87.15 -6.2 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -45.9 71.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.223 0.535 . . . . 0.0 110.61 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -22.93 66.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 12.8 m-20 -53.53 -27.16 24.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.837 0.351 . . . . 0.0 111.244 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -90.17 7.53 37.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 98.3 t -98.8 -46.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.315 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.5 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -82.75 -21.99 34.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.996 0.427 . . . . 0.0 109.853 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 5.3 t -70.06 -21.35 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.854 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.08 -18.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.982 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 17.3 mt -114.61 -16.21 11.88 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -107.68 -15.13 14.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.446 0.566 . . . . 0.0 111.477 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.19 42.39 0.55 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.608 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 13.5 tt0 65.0 57.33 0.98 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' N ' ' HA ' ' A' ' 73' ' ' SER . 1.6 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.789 0.328 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -150.54 -60.98 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -101.25 -36.55 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.318 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.444 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.1 m -63.55 -20.0 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.79 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' SER . 14.1 pt20 -63.75 -14.49 52.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.466 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.63 -36.24 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 0.0 110.869 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -67.09 -63.14 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.27 -19.93 50.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.128 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.44 -57.96 3.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.791 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.7 -32.01 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.171 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -67.12 -36.04 81.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 70.2 m -61.95 -35.47 78.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.494 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -34.91 60.59 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.341 0.591 . . . . 0.0 109.877 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 1.3 t-105 -101.12 -21.21 15.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.794 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -69.94 -35.93 74.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.732 0.301 . . . . 0.0 111.012 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -65.39 -36.96 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.47 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.28 86.76 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' TRP . 9.3 mmmm -79.05 -25.33 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.807 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -69.42 -54.17 15.71 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.153 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.15 -23.26 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.119 0.485 . . . . 0.0 110.258 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -88.17 -22.16 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.668 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.0 mt-30 -83.15 -39.9 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.23 -55.28 37.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -23.37 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 35.0 m-85 -105.17 -2.3 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 3.6 mt-10 -141.53 -40.57 0.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 24.3 mmtt -76.28 -57.31 3.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.77 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . 33.4 m -81.2 -17.49 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 111.219 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -39.9 81.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.761 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 7.4 mt -142.74 -59.19 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 59.4 Cg_endo -71.39 48.94 1.02 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.284 1.989 . . . . 0.0 113.364 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 39' ' ' LYS . . . -177.23 25.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.206 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.62 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.797 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -61.75 -40.81 96.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.354 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.63 -55.48 34.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -30.19 45.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.957 0.408 . . . . 0.0 110.249 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.07 -21.03 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.542 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -110.62 20.73 17.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 15.1 p-10 -72.17 -58.98 2.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.311 0.576 . . . . 0.0 110.342 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' H ' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -46.79 -37.14 8.15 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.452 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.5 -55.05 9.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.542 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.445 ' HB2' ' N ' ' A' ' 61' ' ' SER . 10.8 p -82.73 16.89 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.166 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -123.28 -19.98 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.507 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.66 -36.96 1.56 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 109.7 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 5.0 t -174.8 26.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.105 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 57' ' ' THR . . . 81.27 39.91 0.06 Allowed 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.27 -39.63 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.228 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HB2' ' CB ' ' A' ' 54' ' ' SER . 74.2 mtm -139.2 -0.13 1.86 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.835 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' HB2' ' A' ' 54' ' ' SER . 2.9 m -76.89 -31.77 56.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.99 0.424 . . . . 0.0 110.242 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 -16.29 38.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -30.81 68.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.451 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -53.67 -24.62 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.796 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.11 -25.82 50.72 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.647 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 4.9 mp -95.21 -15.48 7.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -49.0 63.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.732 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -25.46 39.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 1.2 m-20 -55.91 -22.41 25.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.59 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.19 6.88 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.366 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.9 t -106.23 -44.65 7.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -85.6 -25.6 26.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 46.8 t -70.83 -17.26 62.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.4 t -123.87 -18.84 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.023 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -117.23 -16.18 10.38 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.524 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 5.4 mttm -104.06 -16.59 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.417 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.5 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 65.99 58.02 0.77 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.678 -0.261 . . . . 0.0 111.562 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' N ' ' HA ' ' A' ' 73' ' ' SER . 22.6 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.726 0.298 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.16 -44.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.18 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -61.43 -24.42 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.9 tp60 -55.6 -43.64 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.39 -39.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.457 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -59.31 5.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 110.309 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.42 -18.68 41.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.145 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.24 -57.7 3.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.432 179.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -39.52 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.022 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 m -65.31 -33.63 76.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.467 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.9 m -70.71 -31.44 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.308 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -35.14 62.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.199 0.523 . . . . 0.0 109.885 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -106.34 -15.88 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.899 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 9.5 tp10 -58.42 -43.85 88.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 t -61.31 -37.97 85.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 110.37 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.96 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -28.32 50.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.714 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.7 m -71.92 -58.56 3.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.318 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -22.38 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.3 -30.1 54.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.34 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' ND2' ' HG3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.269 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -29.36 69.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.514 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.45 -3.32 40.27 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -139.77 -55.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 6.4 mmtp -72.66 -2.11 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -125.63 -11.93 6.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.635 0.255 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.608 ' HB3' ' HD2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.38 -159.75 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.632 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 4.4 mt -51.08 -52.07 61.89 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.163 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' HB3' ' A' ' 41' ' ' TYR . 42.5 Cg_endo -68.18 19.62 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.466 2.111 . . . . 0.0 113.714 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 42' ' ' LEU . . . -133.48 11.81 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.754 0.312 . . . . 0.0 111.259 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.74 -33.42 31.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.022 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -24.97 48.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 51.9 mt-10 -76.37 -53.69 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -50.99 -33.18 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.411 . . . . 0.0 110.398 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -92.7 -15.79 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.164 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -147.69 81.42 1.51 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.278 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -157.22 -49.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.867 179.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -42.37 -32.01 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.04 0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -82.44 -56.07 4.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.962 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 m -77.28 12.72 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.319 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 2.8 tttm -122.23 -9.92 8.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.698 0.285 . . . . 0.0 110.865 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.44 ' C ' ' HG2' ' A' ' 60' ' ' MET . 0.5 OUTLIER -119.12 3.71 11.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.3 t -122.22 -19.4 6.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.309 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.79 -46.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.563 0.221 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -64.08 -12.81 42.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.405 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.44 ' HG2' ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -100.18 -37.62 8.85 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.094 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' CB ' ' HE3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -73.56 -32.33 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.397 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 m -81.0 -23.54 38.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.43 72.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -53.59 -26.58 22.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.41 0.624 . . . . 0.0 109.603 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.06 -25.74 23.63 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.365 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 33.8 mm -86.72 -8.53 11.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.755 0.312 . . . . 0.0 111.076 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -48.4 81.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.658 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -27.28 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.576 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.3 OUTLIER -58.67 -19.02 35.74 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 10.28 35.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.2 t -98.92 -43.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.233 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -92.03 -20.39 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.162 0.506 . . . . 0.0 109.677 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -83.27 -10.92 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -125.37 -17.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.5 -12.89 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.569 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 5.0 mttt -108.14 -11.25 15.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.046 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.12 0.58 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.78 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 1.8 tp10 59.71 57.56 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.562 0.22 . . . . 0.0 111.578 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.555 ' N ' ' HA ' ' A' ' 73' ' ' SER . 1.5 mm-40 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.924 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -37.69 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.24 -34.31 56.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.059 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -67.73 -17.28 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -77.4 -11.12 59.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.9 -36.96 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -62.0 1.81 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.149 0.499 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.21 -20.41 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.359 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -77.36 -58.04 3.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.57 -34.35 76.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.384 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -37.57 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 14.6 m -64.59 -33.65 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -35.55 66.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -18.52 17.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.77 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 31.7 tt0 -60.0 -32.97 71.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.064 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -43.2 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.38 . . . . 0.0 110.324 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -34.36 77.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -23.13 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.201 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -69.67 -55.81 8.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -24.13 54.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.156 0.503 . . . . 0.0 110.231 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.36 -36.73 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.067 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.87 -31.98 73.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.96 -57.52 12.18 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.69 -26.44 54.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.93 -1.41 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.0 -62.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.833 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.33 -44.27 79.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 m -79.42 -28.95 41.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -27.68 68.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.93 162.18 40.28 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.633 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HG2' ' CG2' ' A' ' 45' ' ' VAL . 72.9 Cg_endo -76.67 46.87 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.558 2.172 . . . . 0.0 113.288 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.37 56.93 7.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.85 0.357 . . . . 0.0 111.669 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 50' ' ' ARG . 32.5 t -92.94 -58.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -83.72 3.13 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.45 46.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.61 24.12 0.73 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.969 0.414 . . . . 0.0 110.751 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.61 -35.87 4.1 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' VAL . 2.8 ttt-85 -131.75 10.6 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.664 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -48.99 79.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.69 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -48.44 -33.7 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -69.14 -55.44 10.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.647 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -82.59 16.24 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.838 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -113.2 -24.8 9.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.851 0.358 . . . . 0.0 110.402 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.5 m -103.55 -28.22 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.43 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.2 p -101.9 -28.78 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.35 10.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.738 0.304 . . . . 0.0 110.789 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.34 -14.5 62.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.41 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 mtt -100.11 -32.77 10.76 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.301 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 -21.6 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.5 m -80.46 2.22 26.05 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.393 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.45 67.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.55 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -52.11 -25.99 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.949 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.9 -24.46 29.91 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.69 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -91.25 -9.83 10.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 111.062 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -46.35 74.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.63 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.773 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.03 -31.62 63.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.03 -2.35 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.409 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 57.4 t -99.69 -66.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -29.97 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.967 0.413 . . . . 0.0 110.418 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.493 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 6.0 m -70.66 -27.64 64.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.997 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.2 t -101.97 -20.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.985 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 90.6 mt -68.4 -46.84 68.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 -67.6 0.56 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.283 0.563 . . . . 0.0 111.284 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.69 51.68 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.964 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 79.62 63.14 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.013 -179.763 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' A' ' 16' ' ' THR . 4.8 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.933 0.396 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -91.39 -37.91 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.331 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.31 -43.46 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.56 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' HB ' ' HB ' ' A' ' 13' ' ' THR . 6.3 m -51.23 -34.92 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -7.2 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -112.12 -36.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.26 -21.11 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -57.08 4.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.335 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.055 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -70.92 -43.95 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 m -65.08 -32.27 73.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.194 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -35.55 70.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.315 0.579 . . . . 0.0 109.684 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -97.22 -18.97 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.522 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -38.16 83.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.984 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.84 -38.21 90.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.324 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.57 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -24.08 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.332 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.8 m -72.99 -43.78 61.82 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.35 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.13 0.491 . . . . 0.0 110.229 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.73 23.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.704 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.43 -45.73 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 111.333 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -55.06 -16.76 3.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.394 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -125.56 -75.06 0.59 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.226 0.536 . . . . 0.0 112.153 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.75 -41.98 57.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.153 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 12.3 tptm -65.85 -15.38 62.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER 78.82 -36.4 0.18 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' N ' HG22 ' A' ' 40' ' ' THR . 0.4 OUTLIER -21.04 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -179.319 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 43' ' ' PRO . 8.5 mt -58.27 170.96 0.64 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.677 0.275 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 42' ' ' LEU . 51.3 Cg_exo -54.83 -6.13 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.905 2.403 . . . . 0.0 113.686 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.35 15.39 2.02 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.69 -41.56 74.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.18 71.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 5.4 mm-40 -79.12 -48.82 13.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -36.91 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.427 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -18.54 22.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.367 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -137.97 83.34 1.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.006 0.431 . . . . 0.0 111.717 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -177.59 -44.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.641 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -30.75 2.05 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.052 0.453 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.96 -56.6 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -86.06 14.97 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.89 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -113.3 -28.32 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 0.0 110.655 179.315 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.436 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 76.6 p -107.07 8.21 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.4 t -123.85 -22.57 4.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 -46.0 0.71 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 111.581 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -56.42 -19.03 13.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.662 0.268 . . . . 0.0 111.144 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.6 OUTLIER -120.87 -34.35 3.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.136 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.501 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.4 -25.52 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.016 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -91.03 8.32 35.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.222 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -30.41 63.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.922 0.391 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -54.02 -22.58 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.056 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.26 -21.66 60.24 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.71 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 mp -101.66 -23.89 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 110.447 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -49.1 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.309 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -24.64 51.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.616 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 73' ' ' SER . 0.4 OUTLIER -60.58 -13.81 16.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.644 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 9.75 22.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.543 0.211 . . . . 0.0 111.472 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG11 HD21 ' A' ' 75' ' ' LEU . 46.2 t -100.26 -65.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.175 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -73.64 -28.39 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.4 t -66.75 -22.08 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.79 -22.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.5 pp -98.56 -22.88 15.74 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.056 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -106.68 -8.7 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.734 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.49 44.45 2.73 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 77.14 61.04 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.431 -0.384 . . . . 0.0 111.284 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' H ' ' HA ' ' A' ' 73' ' ' SER . 4.7 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.99 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.983 0.421 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -152.25 -51.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.38 -31.47 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -54.24 -24.92 20.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.243 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -38.86 73.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.46 -35.84 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -60.97 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.656 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.7 -21.7 19.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.356 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -58.47 3.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.797 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -26.69 68.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.473 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -69.46 -32.2 70.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -65.13 -36.18 83.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -36.84 74.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.696 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -93.48 -16.07 24.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.918 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.9 tt0 -57.62 -38.75 75.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -42.34 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.223 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.46 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -79.02 -25.25 43.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.223 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.1 m -61.92 -40.19 94.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.31 -21.81 16.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.04 -37.18 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.268 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.31 -34.04 77.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.558 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 1.6 t-20 -52.59 -60.7 2.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -22.54 64.41 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.031 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -69.96 -71.69 0.23 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.881 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.6 -1.34 0.52 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.52 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 6.1 mtpt -73.53 -41.02 63.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.329 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -89.09 -33.75 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.694 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -29.21 32.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.227 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.04 166.73 36.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HG2' ' CG2' ' A' ' 45' ' ' VAL . 63.1 Cg_endo -74.39 50.13 2.23 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.53 2.153 . . . . 0.0 113.583 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 43.86 48.63 7.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' ASP . 8.4 t -75.21 -67.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 5.7 m-20 73.6 104.39 0.07 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.094 0.473 . . . . 0.0 110.979 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 17.4 mt-10 84.73 -62.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.203 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -51.92 -45.61 64.32 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -78.86 -27.8 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.742 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.44 26.93 3.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -104.49 -46.64 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.443 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -33.79 30.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.805 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -92.34 -53.17 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.341 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.98 25.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.34 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -144.59 -40.74 0.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.693 179.329 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -92.39 -19.54 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.2 m -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.274 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.65 -46.39 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.27 2.25 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.235 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.61 -33.57 2.75 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.587 0.232 . . . . 0.0 111.502 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -11.12 21.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -106.78 -11.93 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -24.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.21 -23.85 55.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.984 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.44 -15.51 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 CA-C-O 120.991 0.424 . . . . 0.0 110.983 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -48.36 55.7 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -27.74 46.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.46 -25.46 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.283 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.86 16.54 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 85.5 t -108.39 -64.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.753 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.553 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -69.53 -31.97 70.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.593 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -69.94 -13.27 62.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.255 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.9 t -121.16 -21.4 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 1.8 pp -126.87 -10.79 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.99 -12.09 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.421 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.5 40.52 0.93 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 5.3 tt0 64.89 61.35 0.79 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.494 -0.353 . . . . 0.0 111.389 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.78 -59.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.8 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -29.65 69.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -60.62 -18.87 55.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.591 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -57.82 -58.66 7.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -55.3 -35.32 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.101 0.477 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.53 -60.76 2.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -56.28 -21.27 22.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.349 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -58.04 3.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.822 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -31.0 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -35.87 62.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 5.1 m -61.98 -35.66 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -39.01 66.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.984 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -96.94 -16.26 20.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.798 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 2.8 tm-20 -67.94 -27.72 66.86 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.408 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -45.7 81.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.612 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.08 79.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -76.19 -19.25 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.393 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -62.78 -41.11 99.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -20.1 34.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.977 0.418 . . . . 0.0 110.562 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.49 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.198 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.08 -27.41 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.862 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.01 -47.31 21.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.309 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.85 -30.66 59.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -146.9 0.95 0.76 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.07 0.766 . . . . 0.0 113.07 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 3.1 tt0 73.01 30.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER 52.47 21.49 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.393 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -61.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 111.526 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -21.4 19.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.544 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -74.86 -62.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.594 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 42' ' ' LEU . 50.0 Cg_exo -33.06 -71.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.304 2.67 . . . . 0.0 113.376 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 178.18 76.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.12 -68.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.52 -24.2 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -77.68 -52.62 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -33.8 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.46 -17.02 35.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.73 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -154.3 91.6 1.44 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -146.32 -57.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.728 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.97 -30.2 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.8 t80 -87.97 -54.97 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.36 30.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 1.1 ttpm? -151.35 -46.08 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 -8.87 59.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 90.9 m -117.15 -33.89 4.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.05 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.12 -54.38 2.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.558 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -65.48 -8.88 21.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 mmm -87.71 -51.44 5.87 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.798 0.333 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -86.52 -23.92 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.265 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -85.65 -8.8 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.692 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -71.18 -31.89 68.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.918 0.389 . . . . 0.0 110.738 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -22.15 27.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.939 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.59 -19.1 30.65 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.88 -14.59 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -63.07 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.08 -25.23 61.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.21 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -24.79 21.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.364 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.31 11.09 37.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.189 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.13 -40.51 5.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.308 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -93.72 -19.47 21.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.536 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 36.3 t -77.63 -18.63 56.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.722 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.65 -18.4 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -115.34 -15.21 11.59 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 7.4 mmtt -106.73 -11.59 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.389 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.41 1.04 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.241 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 17.3 tt0 64.6 57.11 1.13 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.707 0.289 . . . . 0.0 110.988 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 3.8 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.95 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.921 0.391 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -58.71 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.675 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -55.26 -49.37 72.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 10.4 tt0 -66.75 -19.44 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.79 -36.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.402 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -66.22 -62.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.385 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.23 -20.71 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.12 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.07 -56.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -38.78 90.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.141 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -35.3 80.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.23 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 m -64.45 -34.27 77.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.374 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -37.73 50.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.262 0.553 . . . . 0.0 109.815 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -98.52 -21.36 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.46 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.93 -34.52 66.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.383 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -64.62 -38.39 90.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.85 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.05 -25.24 40.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.15 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.8 m -63.53 -38.24 90.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.538 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.96 -21.0 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.19 -33.17 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 4.9 tt0 -75.92 -28.45 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.37 0.605 . . . . 0.0 110.84 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.71 -47.7 16.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.046 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -29.7 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.759 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.89 7.57 0.23 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 67.98 34.72 4.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 4.6 mttm 58.52 18.08 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.45 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' HD2' ' A' ' 43' ' ' PRO . 55.8 m -90.99 -8.1 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -21.17 64.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.026 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.545 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.26 -53.07 0.69 Allowed Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.446 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 10.3 Cg_exo -71.93 -6.34 18.91 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.524 2.149 . . . . 0.0 112.699 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.49 47.53 1.51 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.11 -39.23 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.445 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.57 -24.98 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.58 -43.7 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -41.5 66.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 109.954 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -20.54 32.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.608 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.12 68.49 1.2 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -144.45 -48.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.9 -36.83 28.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.44 -55.92 6.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.209 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 p -82.94 16.48 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.296 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 22.7 tptp -116.31 -26.68 7.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.903 0.382 . . . . 0.0 110.429 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.3 p -108.3 -19.54 13.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.6 m -105.74 -16.54 14.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.185 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.77 -37.96 3.35 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.771 0.319 . . . . 0.0 111.332 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -85.47 5.47 31.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.8 mtt -125.84 -42.24 1.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -27.0 53.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -85.68 4.53 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.383 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -30.46 62.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.966 0.412 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -52.93 -25.34 11.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.42 -22.08 32.86 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.707 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mm -92.6 -12.49 8.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -56.25 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.34 -25.92 63.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.169 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -57.81 -32.63 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.43 6.13 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 68' ' ' THR . 83.5 t -93.12 -40.94 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.598 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.27 -25.07 18.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 10.8 t -76.84 -15.28 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.984 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -125.18 -16.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.99 -7.78 8.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.493 0.924 . . . . 0.0 113.493 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.598 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 4.9 mptt -114.59 -10.51 12.51 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.962 -0.461 . . . . 0.0 111.464 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 112.71 51.36 0.53 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 pt-20 51.87 58.26 5.65 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.821 0.343 . . . . 0.0 111.781 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' N ' ' HA ' ' A' ' 73' ' ' SER . 6.2 tt0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.35 -46.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -43.18 97.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -54.66 -24.24 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' SER . 2.0 mt-30 -63.25 -49.0 75.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.604 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.95 -34.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -64.64 -61.61 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.423 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.29 -21.58 59.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.31 -56.22 4.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.863 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -32.17 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.509 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -71.15 -39.83 71.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.8 m -64.43 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -35.52 68.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -99.89 -17.89 17.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.837 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.67 -38.8 77.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.186 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -39.84 94.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.89 78.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -23.87 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.172 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.0 m -75.92 -56.45 4.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.328 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -23.24 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.32 -23.28 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.866 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 mt-30 -84.01 -37.48 22.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -56.02 26.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.978 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -27.99 68.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.996 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.28 -4.16 39.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.8 mm-40 -139.55 -64.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.758 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -53.92 -42.83 69.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.337 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -85.38 -35.69 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -66.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.428 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.01 161.23 71.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.208 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.44 64.13 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.979 2.453 . . . . 0.0 112.703 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.55 27.98 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.559 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 t -75.48 -28.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -38.84 92.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.64 -48.49 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -50.58 -33.72 23.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.093 0.473 . . . . 0.0 110.249 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.12 -22.81 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.46 8.4 44.69 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.611 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -82.76 -48.72 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.624 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -34.34 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.093 0.473 . . . . 0.0 110.741 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.49 -54.6 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.3 21.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.422 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.1 tmtm? -133.92 -35.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -98.1 -17.14 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 m -111.72 -23.78 10.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.29 -43.29 4.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.65 0.262 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.55 1.65 32.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 97.6 mmm -119.55 -36.79 3.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 t -83.33 -14.49 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -67.75 -39.34 84.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -31.41 53.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.32 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -53.66 -24.69 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 109.928 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -23.27 63.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.586 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.16 -13.99 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -49.06 44.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -24.23 48.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -58.26 -27.96 64.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.294 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -93.81 1.25 56.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.502 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.6 t -98.3 -70.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.601 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -51.34 -28.21 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.122 0.487 . . . . 0.0 110.284 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.495 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 1.5 m -70.75 -29.12 65.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.853 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.97 -20.39 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.041 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.3 mt -68.14 -47.7 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.581 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.75 -68.01 0.55 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.37 0.605 . . . . 0.0 111.238 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.15 50.81 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.92 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' N ' ' HA ' ' A' ' 73' ' ' SER . 11.5 tt0 79.72 56.95 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.198 0.523 . . . . 0.0 110.26 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.857 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.9 p . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.966 0.412 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -91.72 -33.83 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.66 -41.27 97.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.358 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -48.57 -27.58 2.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.595 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -57.12 -39.12 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.5 -35.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.5 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -61.32 -60.26 4.0 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.1 -20.37 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.04 3.51 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.825 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.332 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.4 m -65.09 -33.96 77.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -37.42 69.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.307 0.575 . . . . 0.0 109.738 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.23 -20.25 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.522 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.35 -39.55 89.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -38.11 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.366 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.89 81.23 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -26.93 51.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.339 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -67.07 -43.99 81.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.92 18.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.266 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.83 -35.07 38.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.28 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -45.81 54.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.01 -48.1 70.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.272 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -51.6 -35.96 43.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.272 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -78.19 -46.32 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 169.11 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.51 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.63 -5.07 2.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' HG3' ' A' ' 43' ' ' PRO . 9.4 m -129.71 -12.41 4.31 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -75.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 2.4 pp -125.48 44.48 1.15 Allowed Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 60.7 Cg_endo -75.88 -90.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 121.99 1.793 . . . . 0.0 112.276 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -156.55 33.25 0.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.4 t -128.92 -41.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.304 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -46.84 69.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.53 -46.1 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.744 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -28.02 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.83 -23.42 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.77 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 ttp85 -112.89 30.98 6.73 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.31 -48.74 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.408 . . . . 0.0 110.72 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.4 OUTLIER -51.88 -25.51 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.86 -57.35 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 m -90.94 32.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.035 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 -43.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 26.8 m -91.2 -2.86 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.638 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -123.55 -37.26 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.57 -51.63 4.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.73 -10.16 50.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -38.55 18.39 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.091 0.472 . . . . 0.0 110.268 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -27.98 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.63 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -72.52 -21.48 61.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -30.63 69.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 110.415 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.1 p -54.16 -25.22 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.714 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.23 -20.28 30.67 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.732 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.2 mm -93.27 -13.89 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -51.64 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.46 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.75 -26.05 21.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.295 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -93.46 6.55 47.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.246 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.85 -43.59 11.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -89.48 -23.81 21.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 45.1 t -72.1 -19.17 61.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -123.09 -19.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -114.52 -15.01 12.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 8.0 mmtm -106.59 -12.56 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.283 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.02 43.54 1.0 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 66.4 54.77 0.88 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.723 0.297 . . . . 0.0 110.792 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 58.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -76.66 -39.23 52.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -95.52 -50.69 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -29.13 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.688 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -66.66 -24.87 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.218 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.93 -36.63 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.485 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.94 -61.24 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.26 -20.52 18.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.28 -57.65 3.67 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.076 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.55 -33.92 75.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -68.25 -34.98 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.787 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -65.31 -34.1 77.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -40.36 66.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.196 0.522 . . . . 0.0 109.827 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -92.44 -20.31 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.504 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.42 -36.41 65.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.764 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.58 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -21.76 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.298 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -75.75 -48.68 20.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.2 51.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.05 -27.65 21.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.625 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -35.59 40.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -54.13 -59.38 4.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.504 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -27.8 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.401 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -91.36 -2.59 57.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.237 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -149.67 -58.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ASN . 25.2 mmtp -55.41 -46.23 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.246 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 m -80.28 -32.83 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -28.5 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.25 127.96 25.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.29 87.12 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.428 2.085 . . . . 0.0 112.656 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.96 41.55 27.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.465 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.08 -17.55 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.406 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -41.34 61.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.723 0.297 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.73 -47.06 82.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -49.67 -32.43 13.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.0 109.996 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.11 -30.47 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.205 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -100.97 28.18 5.46 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -39.51 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.97 -37.45 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.965 0.412 . . . . 0.0 110.784 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -59.66 -56.49 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.751 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -86.22 17.36 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.79 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 7.2 mtpp -116.72 -30.87 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.901 0.382 . . . . 0.0 110.471 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -106.3 -24.88 12.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.396 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 m -99.88 -25.76 14.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.0 -38.27 10.3 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.754 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' LYS . . . -62.7 -18.3 62.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.766 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -103.07 -34.11 9.01 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.053 0.454 . . . . 0.0 110.865 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 60' ' ' MET . 12.0 t -79.56 -33.89 41.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -72.21 -27.05 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -31.13 66.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -54.39 -24.12 18.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.921 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.5 29.46 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.608 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mm -89.58 -13.02 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.952 0.406 . . . . 0.0 110.991 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -48.3 79.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -53.32 -28.32 27.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.68 10.83 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.438 ' CG1' ' CD2' ' A' ' 75' ' ' LEU . 83.8 t -104.26 -58.39 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.032 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.621 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -73.32 -28.58 62.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.251 0.548 . . . . 0.0 109.545 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 25.7 t -69.36 -13.28 62.29 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.977 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 t -122.73 -22.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CD2' ' CG1' ' A' ' 71' ' ' VAL . 1.9 pp -125.45 -4.14 7.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.621 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -112.84 -10.67 13.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.555 0.616 . . . . 0.0 111.527 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 114.74 50.54 0.48 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.3 pt-20 52.3 58.23 5.63 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.471 -0.364 . . . . 0.0 111.71 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.9 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.72 0.295 . . . . 0.0 111.419 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 13' ' ' THR . 84.4 t80 67.46 -17.01 0.15 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.159 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -82.59 -47.77 11.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.972 0.415 . . . . 0.0 110.327 179.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -64.36 -26.36 68.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.7 mm-40 -65.26 -34.07 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.4 t -68.71 -39.75 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.24 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.4 -18.55 28.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.526 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.07 -58.04 3.47 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -64.86 -33.67 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 38.5 t -72.09 -40.99 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.426 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.2 m -60.1 -34.2 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.726 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.8 61.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.145 0.497 . . . . 0.0 109.961 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -101.31 -16.33 16.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.776 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.7 tt0 -74.36 -35.83 63.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -65.29 -41.41 94.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.179 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.1 79.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -77.69 -27.02 50.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.151 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 m -63.49 -44.16 95.18 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.94 36.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.079 0.466 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -35.28 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.497 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.57 -49.39 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.091 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -49.01 68.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.365 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -34.79 71.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.38 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.13 -76.27 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.45 39.33 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.93 -42.16 8.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.986 0.422 . . . . 0.0 110.732 -179.398 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 m -104.23 -26.77 12.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.122 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.2 160.33 0.23 Allowed 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.42 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 3.9 mp 50.73 86.0 0.17 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -40.91 89.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.133 2.555 . . . . 0.0 113.374 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.17 25.87 1.31 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.924 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' HB3' ' A' ' 42' ' ' LEU . 12.3 t -76.85 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.25 7.39 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.626 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.709 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -103.82 -56.64 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.198 0.523 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -21.43 65.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.646 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.39 -13.27 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.281 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.31 77.87 0.23 Allowed 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.588 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.709 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 5.6 m-20 175.41 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp -47.55 -29.69 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.83 -53.64 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.848 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.72 18.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.49 -31.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 178.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -100.83 -20.1 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.292 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.449 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 6.5 p -111.22 -16.65 13.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.659 0.266 . . . . 0.0 111.2 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -112.07 -40.59 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.34 6.6 36.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.671 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 mtp -148.26 -29.66 0.3 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -106.45 19.15 20.93 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.539 -179.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 63.3 m -136.33 -34.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.501 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -33.13 73.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.0 110.383 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.0 p -55.52 -23.04 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.746 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.46 -24.09 22.33 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.81 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 66' ' ' ILE . 23.5 mm -88.3 -14.83 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-O 121.131 0.491 . . . . 0.0 110.962 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -50.15 75.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -24.34 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.855 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.46 -23.49 39.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.74 22.31 15.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -116.15 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -76.47 -34.04 58.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.947 179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.505 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.73 -13.0 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 0.0 109.893 178.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 74' ' ' VAL . 98.6 t -106.48 -20.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.26 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 72' ' ' LEU . 1.6 pp -99.03 -43.56 6.63 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.837 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -3.31 7.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.037 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 67.23 42.44 90.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.578 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.9 mm-40 -130.55 -9.42 4.08 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HB3' ' CB ' ' A' ' 73' ' ' SER . 5.2 pt-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.541 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.64 -33.03 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.441 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -70.91 -17.89 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.0 OUTLIER -67.66 -21.63 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.082 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -98.07 -37.2 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -65.34 -61.44 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.166 0.508 . . . . 0.0 110.478 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.65 -20.07 30.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.343 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.01 -58.84 3.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.51 179.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -33.81 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.184 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -33.98 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.492 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.8 m -63.91 -35.25 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.679 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -37.12 65.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.15 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -101.82 -14.99 17.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.101 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 5.0 tm-20 -60.92 -35.06 75.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -65.77 -41.81 91.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.026 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.18 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -78.69 -26.54 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.199 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.3 m -68.21 -51.36 46.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.74 -24.17 14.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.305 0.574 . . . . 0.0 110.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -80.25 -40.64 26.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.065 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.605 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.2 mt-30 -60.86 -32.42 71.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.474 0.654 . . . . 0.0 110.436 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -56.23 -58.62 7.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.428 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -24.98 26.29 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 15.3 m-85 -105.61 -3.53 22.17 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.605 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 14.3 mm-40 -130.73 -71.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.626 -0.43 . . . . 0.0 112.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 35' ' ' ASN . 9.5 pttt -61.7 -45.89 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.403 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.8 m -72.8 -27.08 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 111.129 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -23.33 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.176 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 43' ' ' PRO . 1.9 mt -132.69 162.28 58.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.602 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 42' ' ' LEU . 60.6 Cg_endo -73.14 47.19 1.25 Allowed 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 113.164 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.72 37.39 2.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -120.75 -29.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -28.49 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.281 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 4.2 pt-20 -77.58 -43.68 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.068 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -56.04 -35.52 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.107 0.479 . . . . 0.0 109.929 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.87 -21.08 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.917 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 7.4 mmm180 -84.41 -13.65 51.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.71 0.29 . . . . 0.0 111.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -69.54 -46.76 65.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.933 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -46.49 -31.16 2.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.002 0.43 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -76.93 -56.35 4.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.043 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -77.43 10.34 2.62 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -115.07 -21.92 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.742 0.306 . . . . 0.0 110.798 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.526 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 21.5 m -111.25 8.32 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -120.34 -22.37 6.55 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.664 0.268 . . . . 0.0 111.708 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 55' ' ' LYS . . . -62.09 -14.09 33.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.361 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.566 ' HG3' ' N ' ' A' ' 61' ' ' SER . 1.3 ptm -109.54 -35.59 6.19 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.382 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.566 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -74.41 -28.33 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.442 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -87.83 -34.56 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -32.06 49.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.459 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -25.09 13.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.286 0.565 . . . . 0.0 110.014 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.28 -21.45 29.74 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.009 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mm -94.2 -18.22 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-O 121.045 0.45 . . . . 0.0 111.104 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -60.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.735 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -26.16 67.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.001 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.24 -27.0 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.262 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 9.47 39.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.347 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.6 t -103.44 -48.65 10.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.514 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -80.61 -29.3 36.86 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 109.649 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 11.2 t -67.12 -19.71 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.6 t -123.74 -19.22 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.57 -15.46 12.0 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -106.1 -14.69 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.293 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.11 42.87 0.88 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 67.52 57.76 0.55 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.619 -0.29 . . . . 0.0 110.977 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' N ' ' HA ' ' A' ' 73' ' ' SER . 1.2 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.827 0.346 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -156.4 -56.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.93 -46.3 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 110.34 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -68.83 -29.6 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.2 OUTLIER -66.07 -15.8 63.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.61 -35.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -61.58 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.44 -19.11 33.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -80.68 -57.27 3.64 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.09 -32.23 72.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -68.82 -46.4 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.069 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.426 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 52.2 m -68.26 -30.25 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.786 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -34.87 65.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.759 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -104.71 -17.44 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -63.55 -44.6 93.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.793 0.33 . . . . 0.0 110.356 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -37.93 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.51 75.87 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -27.87 42.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.012 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.5 m -74.3 -55.91 5.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.061 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.84 -24.48 36.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.03 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -76.48 -37.23 57.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.041 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -56.56 -39.52 73.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.254 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -70.59 -52.09 23.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.555 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -23.36 66.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.285 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 3.4 m-85 -108.84 -5.03 16.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -137.64 -35.17 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 4.6 mmtt -86.14 -52.34 5.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.963 0.411 . . . . 0.0 111.244 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.7 m -86.04 -10.97 54.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -77.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.868 0.366 . . . . 0.0 111.463 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -109.8 -48.07 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 10.9 Cg_exo -71.5 48.25 0.97 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.49 2.127 . . . . 0.0 112.937 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -170.07 21.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.639 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 79.8 t -149.21 -90.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 120.828 0.346 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.5 m-20 52.14 90.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.15 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.987 177.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -40.62 -34.33 0.36 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.21 0.528 . . . . 0.0 110.659 -179.145 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -114.09 -22.16 10.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.796 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 3.6 ttm180 -86.69 8.18 23.54 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.378 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 m-20 -102.49 -39.08 7.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.48 -24.98 34.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.769 0.318 . . . . 0.0 111.122 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.409 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.4 t80 -100.1 -55.48 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 111.515 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -84.65 27.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.594 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -146.03 -37.19 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -97.52 -26.75 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 26.3 m -104.26 -22.15 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.44 -38.47 7.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.394 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -84.9 4.65 32.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.364 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -128.14 -26.29 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -23.22 13.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.599 0.238 . . . . 0.0 111.192 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -89.35 -11.16 44.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.535 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -28.87 66.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.473 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -53.73 -23.77 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.989 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.26 -22.21 57.33 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.736 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 5.2 mp -99.39 -22.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.196 0.522 . . . . 0.0 110.614 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.25 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -27.04 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.213 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -55.58 -27.05 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.076 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 15.3 tp60 -95.83 14.88 21.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' LEU . 89.3 t -110.2 -56.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.036 0.446 . . . . 0.0 110.24 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.42 -38.97 85.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.637 179.591 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 1.6 p -71.69 -18.45 62.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 42.1 t -105.47 -19.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.962 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.4 pp -100.58 -42.08 6.69 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -3.08 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.203 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 65.06 41.08 97.36 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -115.15 -32.53 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.919 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 73' ' ' SER . 70.9 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.239 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.02 -48.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.93 -18.67 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.731 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -50.34 -25.09 3.45 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -45.9 -43.93 14.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.984 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -66.28 -36.69 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.264 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.19 -59.9 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.42 -21.21 35.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.058 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.98 -56.65 4.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.607 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -63.04 -34.42 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.249 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.6 m -65.33 -33.51 76.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.246 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.571 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 56.0 m -64.64 -36.63 84.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -36.58 72.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.781 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -93.84 -17.14 23.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.845 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -63.88 -42.49 97.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.41 -38.53 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.023 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -77.69 -28.04 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.908 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.8 m -68.42 -55.85 10.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.316 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.3 -23.03 45.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.02 41.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 2.5 mt-30 -74.82 -47.38 30.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.149 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -50.69 -53.07 34.23 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.303 179.632 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -33.81 75.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.915 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -95.22 -1.46 51.59 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 5.8 mt-10 -137.13 -58.07 0.71 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.355 . . . . 0.0 111.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 2.7 mmmp? -65.96 -57.23 8.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.3 m -59.95 -21.32 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -25.67 60.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.933 0.397 . . . . 0.0 110.733 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HB3' ' CD ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -118.32 170.53 6.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.373 179.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' CD ' ' HB3' ' A' ' 42' ' ' LEU . 3.5 Cg_exo -77.13 17.0 0.9 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.877 2.385 . . . . 0.0 112.687 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 63.18 24.65 14.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.1 t -99.68 -31.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.9 -19.53 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.409 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -41.67 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -58.3 -25.73 62.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.235 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.58 -18.28 14.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 71.66 1.45 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 3.7 m-20 -139.87 -54.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.364 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -36.55 31.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.499 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -87.15 -52.49 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -72.86 12.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -116.02 -16.56 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.668 178.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 m -109.01 -21.04 12.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.894 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 p -113.59 -26.08 8.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.317 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.72 -50.76 3.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.03 -8.88 41.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.844 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.5 mmm -104.14 -48.35 3.9 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-O 120.917 0.389 . . . . 0.0 110.463 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -73.17 -13.19 61.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.028 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -65.08 -42.96 93.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.4 63.1 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.222 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -55.48 -23.06 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.254 0.549 . . . . 0.0 109.657 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.37 -23.88 32.9 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.269 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -86.58 -11.38 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.699 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -60.91 2.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.47 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -24.28 66.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.616 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.13 -27.14 65.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -96.43 7.97 45.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 73.6 t -99.4 -69.54 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.684 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -63.45 -28.66 70.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.166 0.508 . . . . 0.0 109.792 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.621 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 12.0 t -72.22 -10.66 60.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.95 -23.5 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.04 -7.19 6.01 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.684 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -106.36 -12.29 15.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.539 0.609 . . . . 0.0 111.571 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.48 41.67 0.67 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.399 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 63.42 56.23 1.68 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 120.556 0.217 . . . . 0.0 111.153 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.979 0.418 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.11 -38.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.854 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.26 -45.87 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.949 0.404 . . . . 0.0 110.762 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -29.98 67.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.84 -5.86 45.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -111.68 -36.62 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -66.13 -63.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.303 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.52 -22.22 54.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.29 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -56.94 4.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.716 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -30.47 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.8 t -69.65 -34.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.5 m -64.97 -34.82 79.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.426 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -35.26 64.09 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.263 0.554 . . . . 0.0 109.971 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -102.88 -16.21 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.069 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 18.0 tt0 -61.53 -42.29 98.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -62.23 -36.67 82.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.016 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.52 82.07 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -28.97 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.933 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.8 m -67.47 -53.07 32.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.036 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.9 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.097 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -81.07 -30.38 34.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.388 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -44.32 44.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.324 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -54.41 -57.54 10.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.252 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 1.1 tp -60.15 -32.34 70.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.811 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -88.09 -2.66 58.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -149.74 -61.19 0.21 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -56.74 -44.43 81.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.711 -179.251 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 36' ' ' LEU . 47.5 m -84.04 -11.99 55.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.362 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.41 73.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.631 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -144.49 -59.78 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.78 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 24.6 Cg_exo -63.2 69.7 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.21 1.94 . . . . 0.0 112.638 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . . . -171.8 29.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.825 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 49' ' ' LEU . 40.4 t -96.96 -49.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' H ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER 60.91 30.26 19.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.326 0.584 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HB3' HG11 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -145.57 -51.24 0.25 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.085 -178.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -121.05 -23.25 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.379 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HB2' ' CG2' ' A' ' 45' ' ' VAL . 12.1 mt -110.22 -18.73 13.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 3.2 mmt180 -138.76 37.16 2.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.495 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -97.66 -31.82 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -40.37 39.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.32 -55.87 21.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.539 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 67.5 p -74.48 4.83 5.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.99 -5.11 23.76 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.64 -31.45 0.77 Allowed 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.216 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 3.3 t -178.91 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 57' ' ' THR . . . 145.4 44.74 0.0 OUTLIER 'General case' 0 C--N 1.346 0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.539 ' CB ' ' HA ' ' A' ' 54' ' ' SER . . . -63.59 -32.78 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.238 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.442 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -92.92 -36.22 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.719 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -67.68 -36.95 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.7 m -58.47 -24.62 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -30.83 69.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -23.99 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.913 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.59 -20.57 28.9 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.803 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.46 -10.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 111.252 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -51.0 63.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -22.35 61.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.233 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -29.58 33.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.683 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.46 1.31 56.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.69 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.32 -64.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -55.78 -26.27 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.477 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 75.4 m -81.48 -15.36 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.7 t -112.1 -18.56 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.754 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.543 ' CD2' ' HA ' ' A' ' 72' ' ' LEU . 2.5 pp -82.76 -36.09 25.99 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.216 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.18 -78.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.232 0.539 . . . . 0.0 111.242 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -171.36 48.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.477 ' N ' ' HA ' ' A' ' 73' ' ' SER . 4.5 tt0 79.46 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.125 0.488 . . . . 0.0 110.298 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 23.9 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.874 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 121.005 0.431 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.0 -34.11 33.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.4 -56.38 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -53.7 -26.55 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.506 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.8 OUTLIER -69.75 -20.4 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.249 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 t -106.39 -34.94 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.44 -20.35 44.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.304 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.68 -58.27 3.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.687 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.14 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' GLU . 20.2 t -70.19 -39.5 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.078 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.8 m -60.48 -35.55 76.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -35.97 61.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 110.224 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -16.63 15.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.929 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 4.4 tt0 -64.83 -41.66 95.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.665 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -63.4 -36.21 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -35.85 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -28.64 34.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.011 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -69.74 -47.6 62.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.66 -22.79 37.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.097 0.475 . . . . 0.0 110.316 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.36 31.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HA ' ' N ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -68.52 -29.53 68.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.64 -47.93 14.59 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -26.95 48.58 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -149.12 4.67 0.63 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 10.5 tt0 66.49 31.33 8.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.956 0.408 . . . . 0.0 110.263 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 17.4 mtpt 58.66 17.71 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.355 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -82.75 -14.88 53.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -37.6 85.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.526 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' H ' ' HD2' ' A' ' 43' ' ' PRO . 13.2 mt -155.2 -61.27 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.501 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HD2' ' H ' ' A' ' 42' ' ' LEU . 38.9 Cg_endo -66.46 43.64 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.738 2.292 . . . . 0.0 113.672 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 177.11 39.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.948 0.404 . . . . 0.0 110.518 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.1 t -119.52 -67.91 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.17 -38.15 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.992 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 31.4 mt-10 -76.67 -48.22 19.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -56.4 -29.86 62.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.252 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -92.93 -18.1 23.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.041 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.7 ptt180 -176.44 105.96 0.07 Allowed 'General case' 0 C--N 1.338 0.085 0 CA-C-O 121.26 0.552 . . . . 0.0 111.857 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.591 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -175.74 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.497 179.143 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -29.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.122 0.487 . . . . 0.0 110.482 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -94.66 -53.96 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.073 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 p -82.71 24.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.0 mmtp -149.95 -44.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.664 0.269 . . . . 0.0 110.673 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 -16.63 22.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.445 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 85.4 m -112.8 -16.18 12.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.176 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -42.01 3.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.39 5.64 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.1 mtp -125.46 -32.86 2.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -85.26 -31.75 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.074 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -91.56 5.31 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.47 66.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.929 0.395 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 t -54.34 -24.59 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.55 -22.05 30.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.674 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.9 mm -92.58 -10.36 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -51.08 59.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.14 33.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' SER . 0.4 OUTLIER -57.77 -21.52 41.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -100.79 13.34 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.267 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.22 -66.85 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.52 -24.95 64.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 14.7 p -75.78 -16.03 60.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.262 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.28 -21.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -119.4 -9.92 9.79 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -108.81 -6.2 15.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.368 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.84 46.41 1.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 9.9 tt0 63.76 57.82 1.34 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.611 -0.295 . . . . 0.0 110.876 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 72' ' ' LEU . 34.0 tt0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 15' ' ' LEU . 6.8 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 13' ' ' THR . 69.6 t80 67.77 -17.39 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 13' ' ' THR . 69.0 mt -86.25 -49.42 7.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.948 0.404 . . . . 0.0 110.441 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' SER . 13.3 tt0 -64.07 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -86.69 -37.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -60.51 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.462 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.37 -19.99 17.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.39 -57.93 3.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.409 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -33.72 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.708 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.8 m -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -35.93 64.75 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.209 0.528 . . . . 0.0 109.92 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -103.5 -15.56 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.89 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 33.8 tt0 -61.72 -37.46 84.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.676 0.274 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -62.99 -41.89 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.279 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.17 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -83.51 -22.98 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -65.87 -44.3 85.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.25 46.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.137 0.494 . . . . 0.0 110.281 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.99 -28.25 25.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.352 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.64 -36.15 80.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.17 -60.54 3.2 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.49 -28.53 67.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.171 0.51 . . . . 0.0 110.079 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -81.38 5.36 17.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.093 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 3.4 pt-20 58.47 34.74 24.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.147 0.499 . . . . 0.0 110.883 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -108.09 -33.02 7.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.425 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -110.51 -19.97 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -31.22 54.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.77 134.08 29.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 56.4 5.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.366 2.044 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.4 34.86 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.402 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.9 t -56.15 -24.3 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.215 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -66.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.7 -41.77 87.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -50.88 -34.75 29.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 0.0 110.29 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.18 -21.5 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.866 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.55 18.28 15.79 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.681 0.277 . . . . 0.0 111.218 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -101.87 -44.02 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -44.28 71.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.515 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -53.06 36.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.87 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' N ' ' A' ' 61' ' ' SER . 89.8 p -72.35 7.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.003 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -133.96 -9.86 2.68 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.054 178.198 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 t -51.44 -32.64 27.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.6 m -145.89 -5.46 0.62 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.252 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 72.46 41.78 0.57 Allowed 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.0 -30.3 12.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.646 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 8.2 mmm -106.79 -0.01 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.611 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.472 ' N ' ' HB2' ' A' ' 54' ' ' SER . 39.0 t -102.43 -34.22 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.744 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 m -60.04 -38.8 83.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -30.68 42.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.56 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 t -52.88 -24.73 9.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.233 0.54 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.97 -24.23 72.43 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.482 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' N ' HD11 ' A' ' 66' ' ' ILE . 5.0 mp -102.02 -20.23 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -47.0 76.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.286 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -25.81 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.53 -26.92 34.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -88.39 4.26 46.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -98.48 -44.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.51 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -81.88 -24.35 35.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.7 m -68.07 -20.46 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.029 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.38 -19.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.6 mt -112.23 -15.74 13.13 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 22.6 mttp -106.67 -15.24 14.81 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.113 -0.367 . . . . 0.0 111.406 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.38 42.9 0.79 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 2.5 tt0 67.69 57.25 0.54 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.641 -0.28 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' N ' ' HA ' ' A' ' 73' ' ' SER . 2.1 mt-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.826 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 15' ' ' LEU . 22.2 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.641 0.258 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 13' ' ' THR . 82.8 t80 67.14 -17.47 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 13' ' ' THR . 40.8 mt -98.4 -42.83 7.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -66.37 -31.06 71.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.99 -36.75 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -60.62 2.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.152 0.501 . . . . 0.0 110.291 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -20.77 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -57.15 4.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.792 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -30.79 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.226 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.98 59.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.903 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.7 p -73.51 -31.64 63.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.51 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -38.57 73.53 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.268 0.556 . . . . 0.0 109.664 179.389 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -96.31 -17.19 20.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.875 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -57.84 -39.99 79.03 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.729 0.3 . . . . 0.0 110.746 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -63.45 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.185 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.02 82.39 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -75.25 -28.09 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.821 178.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 41' ' ' TYR . 58.7 m -73.01 -60.08 2.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.163 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.42 45.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.153 0.501 . . . . 0.0 109.916 179.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -73.17 -33.94 65.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.691 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 tp-100 -51.32 -40.02 58.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.816 179.6 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.48 -54.13 50.46 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.153 0.502 . . . . 0.0 111.138 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -21.56 53.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.975 -179.127 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 1.1 m-85 -99.42 -7.05 26.67 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.705 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 8.7 mt-10 -158.13 -18.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 65.69 12.74 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.219 . . . . 0.0 111.319 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 38' ' ' GLU . 1.5 m -73.26 -34.7 65.97 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.18 0.514 . . . . 0.0 109.988 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 31' ' ' THR . 0.6 OUTLIER -56.34 -19.9 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.306 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 43' ' ' PRO . 9.9 mt -67.26 169.18 9.17 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.378 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 42' ' ' LEU . 89.8 Cg_endo -78.73 47.54 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.531 2.154 . . . . 0.0 113.063 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.64 55.25 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 111.579 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.1 t -69.66 -42.84 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.15 -33.9 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 3.4 mp0 -81.12 -46.74 14.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.588 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -54.52 -24.77 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.9 -17.8 14.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.056 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -161.07 96.36 1.09 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.315 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -161.81 -50.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.493 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.59 -36.0 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.032 0.444 . . . . 0.0 110.738 179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.04 -57.08 10.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.45 14.78 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.865 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 3.9 ttpp -112.1 -12.82 13.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.049 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.9 p -118.35 -10.99 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.138 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -111.75 -8.87 14.13 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.585 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -139.51 -49.33 0.49 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.306 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' LYS . . . -58.59 -14.14 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.33 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.4 ptm -126.78 -41.18 1.85 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -42.49 53.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.591 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 39.2 m -71.92 -8.53 54.93 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -31.42 69.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.985 0.422 . . . . 0.0 110.361 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -56.03 -23.61 34.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.872 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.91 -20.21 29.12 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.811 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.0 mm -93.86 -8.84 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.79 71.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -28.77 16.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.411 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.7 OUTLIER -56.1 -24.04 37.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -89.17 1.51 55.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.577 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 88.4 t -100.77 -71.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.467 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.71 -26.98 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.359 179.223 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.517 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 19.4 m -71.78 -30.06 65.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.718 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.6 t -101.06 -20.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 83.6 mt -68.14 -46.14 71.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.648 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.0 -67.58 0.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.348 0.594 . . . . 0.0 111.328 -178.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.77 51.88 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.909 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.517 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.0 tt0 77.23 56.85 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.089 0.471 . . . . 0.0 110.191 -179.202 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.451 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 5.5 tm-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.911 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' A' ' 16' ' ' THR . 2.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -78.28 -59.84 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.529 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -40.89 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' A' ' 13' ' ' THR . 5.7 m -67.39 -16.68 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.535 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -38.75 74.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.54 -35.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.722 179.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -60.56 3.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.262 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.18 -19.98 37.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.355 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -58.13 3.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.636 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.85 -31.76 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -71.81 -38.53 70.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.1 p -66.99 -31.86 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -36.15 60.46 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.274 0.559 . . . . 0.0 109.918 179.194 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -21.54 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.817 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 11.9 tt0 -66.08 -38.14 87.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -63.48 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.15 80.91 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -81.07 -24.97 37.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.382 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.48 -43.19 77.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -21.99 21.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.45 -31.66 24.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.538 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -35.27 24.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.17 -48.34 78.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.05 -36.6 63.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.5 -0.27 56.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.159 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.04 31.94 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.169 0.509 . . . . 0.0 110.209 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.0 mttm 54.7 19.13 2.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.032 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -79.45 -13.22 59.73 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.63 -32.09 27.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.64 130.68 44.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.173 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.85 48.2 2.39 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.401 2.067 . . . . 0.0 112.84 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.63 16.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -121.21 -66.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.317 -179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.601 ' HB2' ' CB ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 62.26 89.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.051 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 mt-10 50.52 26.99 2.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.437 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 50.23 29.75 3.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.594 0.712 . . . . 0.0 109.373 -178.502 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.34 -42.55 2.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.273 -179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.601 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.9 ttt180 -83.48 -5.67 59.23 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.283 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.03 -54.99 29.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.59 179.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.77 -32.66 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.713 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.46 -57.3 8.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 17.31 8.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.76 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -13.39 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -112.25 -26.51 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.6 t -105.68 4.98 30.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.764 -179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.65 -49.25 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.43 -11.45 33.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.488 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ptm -129.26 -41.82 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.749 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.82 -44.07 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.619 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.5 m -84.3 -17.89 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.498 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -30.93 67.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.903 0.383 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -25.27 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.322 0.582 . . . . 0.0 109.89 179.275 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.33 -20.42 30.0 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.7 mm -93.23 -12.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.9 0.381 . . . . 0.0 110.98 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -47.32 82.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -21.32 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -27.83 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.42 5.3 48.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 57.9 t -101.4 -64.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.787 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -56.33 -27.79 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.063 0.459 . . . . 0.0 109.899 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.4 t -74.11 -9.37 58.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.114 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.73 -22.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -133.02 -5.82 3.09 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -178.336 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -106.79 -12.18 15.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.971 0.805 . . . . 0.0 111.735 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.76 0.56 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.705 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.5 OUTLIER 62.3 59.13 1.63 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.479 0.181 . . . . 0.0 111.433 179.758 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' N ' ' HA ' ' A' ' 73' ' ' SER . 30.2 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.217 -0.896 . . . . 0.0 111.03 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.29 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.759 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.34 -42.1 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -55.18 -26.65 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.4 tt0 -65.73 -45.97 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.497 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.4 -35.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.185 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.33 -19.69 56.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.247 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.01 -56.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.835 179.833 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.09 89.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.304 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -65.27 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.631 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 43.4 m -64.28 -35.05 79.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.428 179.536 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -40.64 61.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.18 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -97.16 -16.55 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.155 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 21.1 mt-10 -51.44 -41.63 60.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.334 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -62.14 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.54 75.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 -24.56 35.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.063 178.786 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -67.15 -48.78 67.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.88 35.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.92 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.553 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.89 -35.84 74.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -53.08 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -31.59 68.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.807 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.93 -1.1 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 69.87 32.75 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mttp 52.25 22.55 2.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 m -80.2 -17.61 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -31.24 50.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.88 157.36 34.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.48 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.141 2.561 . . . . 0.0 112.934 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.42 26.23 3.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 111.252 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 t -128.94 -34.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.83 -41.21 61.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.091 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 56.4 mt-10 -77.17 -47.03 21.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.57 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -35.75 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 109.965 179.237 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.6 -16.01 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.251 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 87.26 1.71 Allowed 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 111.502 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 179.16 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 179.453 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.08 -34.53 22.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.46 . . . . 0.0 110.493 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.471 ' O ' ' HB ' ' A' ' 57' ' ' THR . 2.2 t80 -92.26 -53.43 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.692 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -81.76 27.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.614 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 8.9 ttmm -163.44 -53.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.21 10.11 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.841 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 39.6 m -133.51 -32.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 110.877 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.63 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' LYS . . . -66.82 -12.37 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.713 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -98.43 -33.75 10.91 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.0 0.429 . . . . 0.0 110.568 179.546 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.69 -30.1 32.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 179.674 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -73.09 -6.88 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -31.32 68.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.622 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -24.54 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.757 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -22.42 31.69 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.449 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.9 -12.45 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.766 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -64.77 -46.23 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.252 179.906 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -21.45 63.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.97 -179.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -29.68 46.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 67' ' ' PHE . 5.3 pp0? -95.14 6.28 49.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.661 0.267 . . . . 0.0 111.517 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.2 -41.02 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 110.73 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -92.79 -19.07 22.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.517 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 30.2 t -78.15 -15.56 58.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 178.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.95 -16.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.947 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.12 -14.86 9.9 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 2.5 mttt -106.89 -10.87 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.13 -0.356 . . . . 0.0 111.249 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.97 43.96 0.91 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.26 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 61.85 58.31 1.97 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.292 . . . . 0.0 111.591 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.6 mm-40 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.704 179.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 14.6 p . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.838 0.351 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -82.28 -46.23 13.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.21 -61.5 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.454 -179.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 m -48.45 -29.05 3.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.683 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 31.4 tt0 -60.15 -61.0 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.637 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.81 -34.71 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.69 -60.44 3.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.38 -20.29 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.165 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.52 -56.97 3.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -68.3 -39.65 81.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.627 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 70.5 m -66.48 -32.19 73.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -38.29 68.32 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.26 0.552 . . . . 0.0 110.006 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -100.49 -15.85 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.775 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 12.2 tp10 -62.62 -37.14 85.1 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -64.6 -42.08 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.17 81.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -24.99 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.945 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -72.62 -60.59 2.16 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.264 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.22 66.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.858 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -76.61 -40.29 49.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.87 178.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -55.57 -33.27 63.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.751 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' ' HG3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -53.25 -68.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.693 -179.67 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -26.63 66.16 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.946 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 5.5 m-85 -91.15 -5.2 55.37 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.507 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' GLN . 27.9 mt-10 -148.28 -60.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 35' ' ' ASN . 2.3 mmpt? -50.45 -32.6 18.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 111.333 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.5 m -99.3 -13.63 19.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -36.29 63.71 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 4.7 mt -131.0 -69.63 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.58 -179.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 58.8 Cg_endo -70.96 57.87 2.07 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.105 1.87 . . . . 0.0 112.323 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.43 5.57 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 t -51.35 -26.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 1.2 m-20 -61.44 -27.64 68.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.24 -46.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -54.14 -46.74 72.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.046 0.45 . . . . 0.0 109.938 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.07 -17.99 58.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.651 179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -100.11 13.07 35.37 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.16 179.675 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -42.41 14.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.449 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.89 -39.02 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.91 -58.13 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 60' ' ' MET . 0.0 OUTLIER -80.24 17.59 1.01 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.086 -179.707 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 -19.0 7.28 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.61 178.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -33.85 1.79 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.557 0.694 . . . . 0.0 109.43 178.022 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 t 179.55 29.9 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.152 179.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 76.97 42.08 0.15 Allowed 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.08 86.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.26 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.5 mmt -131.38 -1.6 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.552 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.7 p -83.44 -17.68 41.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.606 0.241 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 t -54.82 -45.82 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -32.77 71.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -55.58 -23.18 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.284 0.564 . . . . 0.0 109.878 179.182 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.66 -21.09 29.79 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 178.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.7 mm -90.03 -12.63 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -48.13 36.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -19.35 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.62 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -25.68 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.632 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -99.38 15.52 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LEU . 96.2 t -112.86 -53.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -72.18 -36.73 69.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.323 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -75.29 -9.38 58.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.584 178.606 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.02 -18.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HG ' ' HA ' ' A' ' 72' ' ' LEU . 1.9 pp -102.26 -38.01 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.014 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' A' ' 78' ' ' GLU . 3.1 tttp -108.59 -8.01 15.57 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.439 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.22 34.4 89.86 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.86 -27.99 0.48 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.848 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 3.6 tm-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.622 -179.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -74.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.63 -47.94 79.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.7 m -58.4 -31.45 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -74.2 -7.55 53.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.12 -35.79 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.399 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -65.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.809 179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.5 -21.32 59.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.057 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -56.06 6.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.357 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.03 -38.09 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.023 179.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.54 -34.99 76.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.206 179.387 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.1 m -61.09 -36.43 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -38.12 62.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.325 0.583 . . . . 0.0 109.862 179.379 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -99.47 -16.67 18.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.856 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' SER . 6.5 tt0 -67.51 -40.44 85.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.723 0.296 . . . . 0.0 111.022 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 -39.86 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.135 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.96 80.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.18 -27.87 57.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.835 178.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.8 m -73.31 -60.27 2.32 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.85 41.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -77.78 -43.13 31.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -63.37 -37.08 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.657 179.67 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.7 t30 -60.4 -54.59 43.81 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.588 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -29.36 46.57 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.48 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 22.4 m-85 -103.82 -1.07 28.4 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -177.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 69.8 mm-40 -135.37 -68.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -61.53 -22.44 65.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.528 -179.112 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.3 m -98.93 -12.59 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.619 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -76.97 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.679 0.276 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 6.3 tp -96.26 -65.3 0.1 OUTLIER Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.293 -179.527 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 45.3 Cg_endo -68.9 61.35 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.165 1.91 . . . . 0.0 112.361 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.14 13.62 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.913 179.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -133.93 -51.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.82 -39.01 93.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -55.21 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -29.72 12.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.7 -19.29 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 0.47 44.61 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.355 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -71.66 -51.63 22.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.806 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.74 -31.14 4.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.56 -57.47 10.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.63 17.28 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.598 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -114.5 -29.62 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.375 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.3 p -109.4 10.08 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -130.54 -22.28 2.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.281 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.47 -44.47 2.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 55' ' ' LYS . . . -67.79 -12.78 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.338 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -111.77 -35.36 5.76 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.006 0.432 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -68.59 -23.18 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.954 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -79.74 -37.49 35.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -31.42 63.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -25.65 15.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.357 0.598 . . . . 0.0 109.808 179.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.73 -24.04 34.12 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.627 178.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -92.81 -13.04 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -47.05 85.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.408 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -53.27 -25.17 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.166 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -55.99 -27.88 54.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.9 0.381 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.57 13.29 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 98.4 t -100.87 -68.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.584 ' CA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -63.35 -28.66 70.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 179.35 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 t -70.07 -12.51 61.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.117 179.162 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.91 -21.32 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 71' ' ' VAL . 3.5 pp -127.4 -9.06 5.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -103.22 -16.59 15.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.539 0.609 . . . . 0.0 111.292 179.645 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.79 40.47 0.52 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER 63.68 59.78 1.14 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.665 -0.267 . . . . 0.0 111.416 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' N ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.025 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.777 0.322 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.2 t -58.91 -28.67 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.62 -36.16 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -64.47 -61.0 2.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.515 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.11 -21.13 20.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -57.29 3.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.35 -35.24 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -36.62 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.792 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -60.33 -36.97 79.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -38.84 65.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.251 0.548 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -97.24 -15.89 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.194 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 8.0 mt-10 -53.29 -42.56 66.71 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.94 92.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.87 83.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.493 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.07 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -72.52 -59.59 2.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.429 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -27.05 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.07 -25.57 40.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.64 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.228 -0.05 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 37.58 -74.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.481 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.5 -33.9 0.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.276 0.56 . . . . 0.0 110.439 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.9 mt -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -96.77 35.73 1.49 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.206 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -130.07 -39.03 1.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.05 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.2 pp -56.21 -38.15 70.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.697 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t80 -83.03 -55.1 4.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.481 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' A' ' 60' ' ' MET . 0.5 OUTLIER -76.6 19.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.83 -18.88 2.67 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.872 178.207 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -45.89 -34.16 3.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.674 0.749 . . . . 0.0 109.166 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.7 t 178.51 32.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.71 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 75.45 42.9 0.21 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 53' ' ' TYR . . . -61.31 -33.09 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.585 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.445 ' H ' ' HA ' ' A' ' 54' ' ' SER . 16.8 mtt -135.66 -0.03 2.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.692 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -79.96 -56.59 4.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.7 m -95.0 -14.59 24.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.011 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.49 65.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.47 -24.92 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.338 0.589 . . . . 0.0 110.012 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.16 -20.39 28.02 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.853 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -94.29 -12.41 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.619 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -64.13 -54.59 31.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -32.69 69.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -57.48 -30.65 65.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 74' ' ' VAL . 1.1 tp60 -94.9 12.07 29.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 75' ' ' LEU . 99.2 t -106.24 -57.91 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.696 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.782 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.78 -37.13 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 -9.14 58.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.269 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.437 HG21 ' HG3' ' A' ' 70' ' ' GLN . 60.3 t -116.83 -18.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' VAL . 1.8 pp -98.26 -37.99 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.088 0.47 . . . . 0.0 109.948 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -115.49 -7.31 12.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.346 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.16 35.9 92.56 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -137.72 -29.8 0.84 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.782 ' C ' HD12 ' A' ' 72' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.537 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.817 0.341 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.19 -28.55 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -66.56 -27.44 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.32 -37.36 17.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.18 -60.63 3.16 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.16 0.505 . . . . 0.0 110.313 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.8 -17.57 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.672 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -82.55 -60.27 2.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -32.36 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.658 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 t -67.84 -45.51 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.686 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -69.76 -27.91 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.723 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -33.43 63.63 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.233 0.54 . . . . 0.0 109.686 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -18.58 13.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.782 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -71.41 -38.14 71.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -66.52 -40.15 89.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.158 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -33.17 73.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.22 -24.04 37.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.3 m -74.84 -58.76 3.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.082 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.91 67.66 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.748 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.68 -24.48 38.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.934 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.563 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 31.1 mt-10 -61.83 -55.59 28.33 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.029 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -36.77 38.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -85.02 -12.73 52.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.875 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 2.5 ptm85 -173.01 97.0 0.12 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.939 0.4 . . . . 0.0 111.477 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -163.49 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.16 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.5 OUTLIER -47.72 -25.72 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.664 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -79.5 -58.37 3.23 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 121.03 0.443 . . . . 0.0 110.756 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 20.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.252 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -145.76 -50.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.062 178.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 15.9 m -96.07 7.89 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.738 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.664 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 76.7 m -130.7 -29.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.53 -50.61 2.89 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -61.77 -14.34 31.69 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.117 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -38.89 6.29 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.771 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -74.09 -31.96 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.253 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -79.58 -32.55 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -75.9 -31.27 59.11 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -22.93 12.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.318 0.58 . . . . 0.0 109.899 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.81 -20.64 36.25 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.762 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 66' ' ' ILE . 29.7 mm -92.65 -8.46 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -53.54 18.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -62.28 -24.28 67.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.69 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -20.07 2.16 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.04 7.91 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.216 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 75' ' ' LEU . 95.1 t -102.33 -47.99 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.675 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.732 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -81.87 -22.41 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.5 t -78.64 -7.2 57.39 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.32 -15.51 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 71' ' ' VAL . 4.2 mt -123.48 -17.09 6.61 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.732 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -103.52 -9.77 19.03 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 122.053 -0.404 . . . . 0.0 110.997 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.29 40.86 0.85 Allowed Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.4 tt0 62.26 53.43 2.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.36 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.719 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 1.1 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.814 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.681 0.277 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -61.71 -26.03 67.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.01 -49.05 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.052 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.94 -36.78 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.238 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -61.48 -58.47 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.12 0.486 . . . . 0.0 110.27 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.83 -19.7 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.27 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -58.14 3.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.61 -31.65 70.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 m -64.43 -33.11 75.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.9 m -66.61 -33.91 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.531 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -33.79 63.73 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.28 0.562 . . . . 0.0 110.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -106.5 -15.45 14.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.063 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -55.73 -41.65 74.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.983 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.41 78.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -28.28 46.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.261 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -67.56 -47.67 69.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.96 21.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.225 0.536 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -32.54 36.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.698 0.285 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -53.13 6.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -42.17 63.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.2 pp -81.24 -16.62 52.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.134 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 57.45 1.68 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.038 0.447 . . . . 0.0 110.795 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -113.06 -54.36 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.027 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -34.86 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.03 -56.23 4.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.39 17.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.013 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -119.77 -26.16 5.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 110.542 179.089 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.31 1.88 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.336 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.3 m -122.78 -29.5 3.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.566 0.222 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.03 -43.25 3.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.439 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -69.17 -9.34 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.502 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -96.89 -36.19 10.66 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.5 OUTLIER -93.24 -36.45 12.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 66' ' ' ILE . 5.2 m -80.42 -8.48 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.12 -31.57 72.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 p -55.42 -24.65 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.508 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.84 -24.86 24.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.306 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.2 mm -87.15 -6.2 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -45.9 71.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.223 0.535 . . . . 0.0 110.61 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -22.93 66.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 12.8 m-20 -53.53 -27.16 24.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.837 0.351 . . . . 0.0 111.244 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -90.17 7.53 37.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 75' ' ' LEU . 98.3 t -98.8 -46.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.315 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -82.75 -21.99 34.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.996 0.427 . . . . 0.0 109.853 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 5.3 t -70.06 -21.35 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.854 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.08 -18.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.982 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.732 HD12 HG13 ' A' ' 71' ' ' VAL . 17.3 mt -114.61 -16.21 11.88 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -107.68 -15.13 14.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.446 0.566 . . . . 0.0 111.477 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.19 42.39 0.55 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.608 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 13.5 tt0 65.0 57.33 0.98 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.966 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.6 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.533 0.206 . . . . 0.0 111.318 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.1 m -63.55 -20.0 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.79 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' SER . 14.1 pt20 -63.75 -14.49 52.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.466 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.63 -36.24 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 0.0 110.869 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -67.09 -63.14 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.27 -19.93 50.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.128 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.44 -57.96 3.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.791 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.7 -32.01 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.171 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -67.12 -36.04 81.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.559 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 70.2 m -61.95 -35.47 78.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.494 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -34.91 60.59 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.341 0.591 . . . . 0.0 109.877 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 1.3 t-105 -101.12 -21.21 15.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.794 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -69.94 -35.93 74.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.732 0.301 . . . . 0.0 111.012 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -65.39 -36.96 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.47 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.28 86.76 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 26' ' ' TRP . 9.3 mmmm -79.05 -25.33 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.807 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -69.42 -54.17 15.71 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.153 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.15 -23.26 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.119 0.485 . . . . 0.0 110.258 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.17 -22.16 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.668 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.63 -55.48 34.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -30.19 45.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.957 0.408 . . . . 0.0 110.249 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 49' ' ' LEU . 12.1 mt -88.07 -21.03 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.542 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -110.62 20.73 17.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 15.1 p-10 -72.17 -58.98 2.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.311 0.576 . . . . 0.0 110.342 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' H ' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -46.79 -37.14 8.15 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.452 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t80 -70.5 -55.05 9.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 10.8 p -82.73 16.89 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.166 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -123.28 -19.98 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.507 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.66 -36.96 1.56 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 109.7 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 t -174.8 26.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.105 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.598 ' HB1' ' OG1' ' A' ' 62' ' ' THR . . . 81.27 39.91 0.06 Allowed 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -56.27 -39.63 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.228 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 74.2 mtm -139.2 -0.13 1.86 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.835 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 54' ' ' SER . 2.9 m -76.89 -31.77 56.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.99 0.424 . . . . 0.0 110.242 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.598 ' OG1' ' HB1' ' A' ' 58' ' ' ALA . 86.2 m -86.06 -16.29 38.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -30.81 68.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.451 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -53.67 -24.62 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.796 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.11 -25.82 50.72 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.647 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 4.9 mp -95.21 -15.48 7.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -49.0 63.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.732 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -25.46 39.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 1.2 m-20 -55.91 -22.41 25.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.59 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.19 6.88 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.366 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.819 HG13 HD12 ' A' ' 75' ' ' LEU . 95.9 t -106.23 -44.65 7.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -85.6 -25.6 26.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 46.8 t -70.83 -17.26 62.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.4 t -123.87 -18.84 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.023 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.819 HD12 HG13 ' A' ' 71' ' ' VAL . 11.8 mt -117.23 -16.18 10.38 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 5.4 mttm -104.06 -16.59 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.417 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.5 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 65.99 58.02 0.77 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.678 -0.261 . . . . 0.0 111.562 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 72' ' ' LEU . 22.6 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -61.43 -24.42 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.9 tp60 -55.6 -43.64 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.39 -39.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.457 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -59.31 5.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 110.309 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.42 -18.68 41.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.145 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.24 -57.7 3.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.432 179.409 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -39.52 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.022 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 m -65.31 -33.63 76.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.9 m -70.71 -31.44 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.308 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -35.14 62.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.199 0.523 . . . . 0.0 109.885 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -106.34 -15.88 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.899 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 9.5 tp10 -58.42 -43.85 88.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 t -61.31 -37.97 85.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 110.37 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.96 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -28.32 50.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.714 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.7 m -71.92 -58.56 3.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.318 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -22.38 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.3 -30.1 54.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.34 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 51.9 mt-10 -76.37 -53.69 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -50.99 -33.18 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.411 . . . . 0.0 110.398 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -92.7 -15.79 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.164 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -147.69 81.42 1.51 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.278 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -157.22 -49.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.867 179.412 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.4 pp -42.37 -32.01 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.04 0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.734 ' O ' HG22 ' A' ' 57' ' ' THR . 1.9 t80 -82.44 -56.07 4.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.962 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 m -77.28 12.72 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.319 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.79 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 tttm -122.23 -9.92 8.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.698 0.285 . . . . 0.0 110.865 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' HG2' ' A' ' 60' ' ' MET . 0.5 OUTLIER -119.12 3.71 11.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.3 t -122.22 -19.4 6.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.79 -46.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.563 0.221 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -64.08 -12.81 42.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.405 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.465 ' HG2' ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -100.18 -37.62 8.85 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.094 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -32.33 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.4 m -81.0 -23.54 38.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.43 72.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -53.59 -26.58 22.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.41 0.624 . . . . 0.0 109.603 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.06 -25.74 23.63 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.365 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 66' ' ' ILE . 33.8 mm -86.72 -8.53 11.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.755 0.312 . . . . 0.0 111.076 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -48.4 81.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.658 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -27.28 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.576 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.3 OUTLIER -58.67 -19.02 35.74 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' OE1' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -104.22 10.28 35.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.171 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 75' ' ' LEU . 75.2 t -98.92 -43.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.233 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -92.03 -20.39 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.162 0.506 . . . . 0.0 109.677 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -83.27 -10.92 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -125.37 -17.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 71' ' ' VAL . 1.3 mt -124.5 -12.89 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 5.0 mttt -108.14 -11.25 15.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.046 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.12 0.58 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.78 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 1.8 tp10 59.71 57.56 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.562 0.22 . . . . 0.0 111.578 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.61 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.924 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -67.73 -17.28 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -77.4 -11.12 59.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.9 -36.96 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -62.0 1.81 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.149 0.499 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.21 -20.41 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.359 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -77.36 -58.04 3.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.57 -34.35 76.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.384 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -37.57 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.431 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 14.6 m -64.59 -33.65 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -35.55 66.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -18.52 17.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.77 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 31.7 tt0 -60.0 -32.97 71.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.064 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -43.2 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.38 . . . . 0.0 110.324 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -34.36 77.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -23.13 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.201 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -69.67 -55.81 8.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -24.13 54.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.156 0.503 . . . . 0.0 110.231 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.36 -36.73 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.067 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.783 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.645 0.26 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.45 46.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.61 24.12 0.73 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.969 0.414 . . . . 0.0 110.751 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.61 -35.87 4.1 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -131.75 10.6 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.664 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -48.99 79.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.69 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.7 pp -48.44 -33.7 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.3 t80 -69.14 -55.44 10.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.904 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.6 t -82.59 16.24 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.838 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.8 tppt? -113.2 -24.8 9.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.851 0.358 . . . . 0.0 110.402 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.5 m -103.55 -28.22 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.43 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.2 p -101.9 -28.78 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -91.8 -42.35 10.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.738 0.304 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.34 -14.5 62.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.41 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 mtt -100.11 -32.77 10.76 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.301 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 -21.6 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 62' ' ' THR . 60.5 m -80.46 2.22 26.05 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.393 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.45 67.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.55 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -52.11 -25.99 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.949 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.9 -24.46 29.91 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.69 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -91.25 -9.83 10.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 111.062 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -46.35 74.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.63 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.773 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.03 -31.62 63.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.4 tp60 -89.03 -2.35 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.755 HG12 HD11 ' A' ' 75' ' ' LEU . 57.4 t -99.69 -66.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -51.07 -29.97 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.967 0.413 . . . . 0.0 110.418 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.518 ' HA ' ' H ' ' A' ' 78' ' ' GLU . 6.0 m -70.66 -27.64 64.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.997 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.2 t -101.97 -20.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.985 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.755 HD11 HG12 ' A' ' 71' ' ' VAL . 90.6 mt -68.4 -46.84 68.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 -67.6 0.56 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.283 0.563 . . . . 0.0 111.284 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.69 51.68 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.964 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.518 ' H ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 79.62 63.14 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.572 ' C ' HD13 ' A' ' 72' ' ' LEU . 5.1 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.013 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.662 0.268 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.23 -34.92 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -7.2 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -112.12 -36.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.26 -21.11 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -57.08 4.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.335 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.055 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -70.92 -43.95 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 39.2 m -65.08 -32.27 73.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.194 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -35.55 70.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.315 0.579 . . . . 0.0 109.684 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -97.22 -18.97 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.522 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -67.67 -38.16 83.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.984 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.84 -38.21 90.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.324 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.57 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -24.08 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.332 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.8 m -72.99 -43.78 61.82 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.35 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.13 0.491 . . . . 0.0 110.229 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.73 23.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 5.4 mm-40 -79.12 -48.82 13.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -36.91 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.427 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -18.54 22.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.367 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -137.97 83.34 1.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.006 0.431 . . . . 0.0 111.717 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -177.59 -44.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.641 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -30.75 2.05 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.052 0.453 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -64.96 -56.6 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.593 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 57' ' ' THR . 13.1 m -86.06 14.97 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.89 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -113.3 -28.32 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 0.0 110.655 179.315 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 76.6 p -107.07 8.21 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 53' ' ' TYR . 7.4 t -123.85 -22.57 4.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 -46.0 0.71 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 111.581 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -56.42 -19.03 13.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.662 0.268 . . . . 0.0 111.144 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.6 OUTLIER -120.87 -34.35 3.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.136 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.4 -25.52 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.016 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.9 m -91.03 8.32 35.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.222 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.41 -30.41 63.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.922 0.391 . . . . 0.0 110.586 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -54.02 -22.58 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.056 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.26 -21.66 60.24 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.71 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' THR . 4.6 mp -101.66 -23.89 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 110.447 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -49.1 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.309 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -24.64 51.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.616 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 73' ' ' SER . 0.4 OUTLIER -60.58 -13.81 16.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.644 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 9.75 22.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.543 0.211 . . . . 0.0 111.472 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.746 HG12 ' CD2' ' A' ' 75' ' ' LEU . 46.2 t -100.26 -65.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.175 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -73.64 -28.39 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.717 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.4 t -66.75 -22.08 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.79 -22.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.746 ' CD2' HG12 ' A' ' 71' ' ' VAL . 1.5 pp -98.56 -22.88 15.74 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.056 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -106.68 -8.7 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.734 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.49 44.45 2.73 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.717 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 77.14 61.04 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.431 -0.384 . . . . 0.0 111.284 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.7 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.99 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.85 0.357 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -54.24 -24.92 20.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.243 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -38.86 73.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.46 -35.84 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -60.97 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.656 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.7 -21.7 19.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.356 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -58.47 3.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.797 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -26.69 68.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.473 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -69.46 -32.2 70.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -65.13 -36.18 83.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -36.84 74.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.696 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -93.48 -16.07 24.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.918 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.9 tt0 -57.62 -38.75 75.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -42.34 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.223 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.46 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -79.02 -25.25 43.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.223 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.1 m -61.92 -40.19 94.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.31 -21.81 16.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.04 -37.18 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.268 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.753 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 5.7 m-20 . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 121.094 0.473 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 17.4 mt-10 84.73 -62.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.203 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -45.61 64.32 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -78.86 -27.8 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.742 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.44 26.93 3.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -104.49 -46.64 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.443 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -33.79 30.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.805 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -92.34 -53.17 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.341 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.98 25.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.34 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -144.59 -40.74 0.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.693 179.329 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -92.39 -19.54 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.2 m -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.274 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.65 -46.39 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.27 2.25 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.235 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.61 -33.57 2.75 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.587 0.232 . . . . 0.0 111.502 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -11.12 21.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -106.78 -11.93 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -24.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.21 -23.85 55.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.984 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.3 mp -103.44 -15.51 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 CA-C-O 120.991 0.424 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.56 -48.36 55.7 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -27.74 46.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.46 -25.46 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.283 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.86 16.54 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.689 ' CG1' HD21 ' A' ' 75' ' ' LEU . 85.5 t -108.39 -64.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.753 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.53 -31.97 70.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.638 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -69.94 -13.27 62.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.255 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.9 t -121.16 -21.4 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.689 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.8 pp -126.87 -10.79 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.99 -12.09 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.421 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.5 40.52 0.93 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 5.3 tt0 64.89 61.35 0.79 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.494 -0.353 . . . . 0.0 111.389 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 20' ' ' GLU . 4.3 m -60.62 -18.87 55.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.591 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.82 -58.66 7.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -55.3 -35.32 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.101 0.477 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.53 -60.76 2.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 16' ' ' THR . 13.9 mt-10 -56.28 -21.27 22.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -58.04 3.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.822 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -31.0 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -35.87 62.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 5.1 m -61.98 -35.66 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -39.01 66.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.984 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -96.94 -16.26 20.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.798 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 2.8 tm-20 -67.94 -27.72 66.86 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.408 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -65.85 -45.7 81.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.612 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.08 79.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -76.19 -19.25 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.393 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 28' ' ' SER . 86.0 m -62.78 -41.11 99.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.791 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -20.1 34.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.977 0.418 . . . . 0.0 110.562 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.49 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.198 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.862 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 5.8 t70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.772 0.32 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -77.68 -52.62 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -33.8 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -86.46 -17.02 35.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.73 179.359 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -154.3 91.6 1.44 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -146.32 -57.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.728 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.97 -30.2 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.8 t80 -87.97 -54.97 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.36 30.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 ttpm? -151.35 -46.08 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 -8.87 59.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 90.9 m -117.15 -33.89 4.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.05 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.12 -54.38 2.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.558 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -65.48 -8.88 21.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 mmm -87.71 -51.44 5.87 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.798 0.333 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -86.52 -23.92 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.265 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -85.65 -8.8 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.692 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -71.18 -31.89 68.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.918 0.389 . . . . 0.0 110.738 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -22.15 27.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.939 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.59 -19.1 30.65 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.88 -14.59 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -63.07 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.08 -25.23 61.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.21 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -24.79 21.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.364 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.31 11.09 37.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.189 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 75' ' ' LEU . 98.7 t -107.13 -40.51 5.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.308 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -93.72 -19.47 21.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 36.3 t -77.63 -18.63 56.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.722 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.65 -18.4 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 HG13 ' A' ' 71' ' ' VAL . 10.3 mt -115.34 -15.21 11.59 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 7.4 mmtt -106.73 -11.59 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.389 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.41 1.04 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.241 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 17.3 tt0 64.6 57.11 1.13 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.707 0.289 . . . . 0.0 110.988 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HB3' HD12 ' A' ' 72' ' ' LEU . 3.8 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.95 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 21' ' ' SER . 10.4 tt0 -66.75 -19.44 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.79 -36.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.402 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -66.22 -62.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.385 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.23 -20.71 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.12 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.07 -56.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -38.78 90.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.141 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -35.3 80.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.23 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 28.4 m -64.45 -34.27 77.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.374 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -37.73 50.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.262 0.553 . . . . 0.0 109.815 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -98.52 -21.36 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.46 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 4.1 tp10 -72.93 -34.52 66.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.383 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -64.62 -38.39 90.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.85 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.05 -25.24 40.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.15 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.8 m -63.53 -38.24 90.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.538 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.96 -21.0 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.19 -33.17 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.37 0.605 . . . . 0.0 110.84 179.86 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.696 0.284 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.58 -43.7 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -41.5 66.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 109.954 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD12 ' HE ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -84.19 -20.54 32.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.608 179.245 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HE ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.12 68.49 1.2 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.861 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.2 m-20 -144.45 -48.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.9 -36.83 28.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.44 -55.92 6.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.209 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 p -82.94 16.48 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.296 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 22.7 tptp -116.31 -26.68 7.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.903 0.382 . . . . 0.0 110.429 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.3 p -108.3 -19.54 13.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.6 m -105.74 -16.54 14.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.185 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.77 -37.96 3.35 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.771 0.319 . . . . 0.0 111.332 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.47 5.47 31.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.8 mtt -125.84 -42.24 1.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -27.0 53.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -85.68 4.53 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.383 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -30.46 62.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.966 0.412 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -52.93 -25.34 11.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.42 -22.08 32.86 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.707 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mm -92.6 -12.49 8.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -56.25 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.436 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.34 -25.92 63.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.169 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -57.81 -32.63 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.43 6.13 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HD12 ' A' ' 75' ' ' LEU . 83.5 t -93.12 -40.94 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.27 -25.07 18.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 10.8 t -76.84 -15.28 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.984 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 74' ' ' VAL . 23.2 t -125.18 -16.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HG13 ' A' ' 71' ' ' VAL . 4.7 mt -122.99 -7.78 8.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.493 0.924 . . . . 0.0 113.493 -178.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 4.9 mptt -114.59 -10.51 12.51 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.962 -0.461 . . . . 0.0 111.464 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 112.71 51.36 0.53 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 pt-20 51.87 58.26 5.65 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.821 0.343 . . . . 0.0 111.781 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' N ' ' HA ' ' A' ' 73' ' ' SER . 6.2 tt0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -54.66 -24.24 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 21' ' ' SER . 2.0 mt-30 -63.25 -49.0 75.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.604 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.95 -34.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -64.64 -61.61 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.423 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.29 -21.58 59.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.31 -56.22 4.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.863 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -32.17 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.509 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -71.15 -39.83 71.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 73.8 m -64.43 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -35.52 68.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -99.89 -17.89 17.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.837 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 6.3 tt0 -69.67 -38.8 77.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -39.84 94.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.89 78.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -23.87 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.172 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.0 m -75.92 -56.45 4.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.328 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -23.24 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.32 -23.28 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.866 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.64 -48.49 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -50.58 -33.72 23.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.093 0.473 . . . . 0.0 110.249 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.12 -22.81 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.46 8.4 44.69 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.611 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -82.76 -48.72 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.624 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -34.34 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.093 0.473 . . . . 0.0 110.741 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.49 -54.6 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.3 21.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.422 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 tmtm? -133.92 -35.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -98.1 -17.14 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 m -111.72 -23.78 10.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.29 -43.29 4.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.65 0.262 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.55 1.65 32.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 64' ' ' THR . 97.6 mmm -119.55 -36.79 3.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 t -83.33 -14.49 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -67.75 -39.34 84.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -31.41 53.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.32 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' MET . 72.3 p -53.66 -24.69 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 109.928 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -23.27 63.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.586 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.3 mp -103.16 -13.99 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -49.06 44.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -24.23 48.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -58.26 -27.96 64.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.294 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.6 pt20 -93.81 1.25 56.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.502 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.805 HG12 ' CD1' ' A' ' 75' ' ' LEU . 89.6 t -98.3 -70.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.601 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -51.34 -28.21 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.122 0.487 . . . . 0.0 110.284 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 1.5 m -70.75 -29.12 65.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.853 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.3 t -101.97 -20.39 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.805 ' CD1' HG12 ' A' ' 71' ' ' VAL . 85.3 mt -68.14 -47.7 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.75 -68.01 0.55 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.37 0.605 . . . . 0.0 111.238 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.15 50.81 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.92 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' N ' ' HA ' ' A' ' 73' ' ' SER . 11.5 tt0 79.72 56.95 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.198 0.523 . . . . 0.0 110.26 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.857 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -48.57 -27.58 2.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.595 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -57.12 -39.12 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.5 -35.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.5 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -61.32 -60.26 4.0 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.1 -20.37 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.04 3.51 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.825 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.332 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.4 m -65.09 -33.96 77.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -37.42 69.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.307 0.575 . . . . 0.0 109.738 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.23 -20.25 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.522 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.35 -39.55 89.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -38.11 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.366 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.89 81.23 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -26.93 51.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.339 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -67.07 -43.99 81.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.92 18.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.266 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.83 -35.07 38.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.28 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.53 -46.1 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.744 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -28.02 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.83 -23.42 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.77 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 ttp85 -112.89 30.98 6.73 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.31 -48.74 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.408 . . . . 0.0 110.72 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -51.88 -25.51 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.86 -57.35 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 m -90.94 32.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.035 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.15 -43.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 26.8 m -91.2 -2.86 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.638 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -123.55 -37.26 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.57 -51.63 4.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.73 -10.16 50.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -38.55 18.39 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.091 0.472 . . . . 0.0 110.268 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -27.98 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.63 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -72.52 -21.48 61.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -30.63 69.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 110.415 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.1 p -54.16 -25.22 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.714 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.23 -20.28 30.67 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.732 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.2 mm -93.27 -13.89 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -51.64 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.46 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.75 -26.05 21.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.295 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -93.46 6.55 47.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.246 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.621 HG13 HD12 ' A' ' 75' ' ' LEU . 58.8 t -98.85 -43.59 11.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -89.48 -23.81 21.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.223 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 45.1 t -72.1 -19.17 61.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -123.09 -19.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 71' ' ' VAL . 11.5 mt -114.52 -15.01 12.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 8.0 mmtm -106.59 -12.56 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.283 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.02 43.54 1.0 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 66.4 54.77 0.88 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.723 0.297 . . . . 0.0 110.792 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.825 ' C ' HD12 ' A' ' 72' ' ' LEU . 58.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.777 0.322 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -29.13 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.688 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -66.66 -24.87 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.218 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.93 -36.63 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.485 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.94 -61.24 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.26 -20.52 18.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.28 -57.65 3.67 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.076 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.55 -33.92 75.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -68.25 -34.98 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.787 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -65.31 -34.1 77.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -40.36 66.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.196 0.522 . . . . 0.0 109.827 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -92.44 -20.31 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.504 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.42 -36.41 65.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.764 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.58 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -21.76 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.298 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -75.75 -48.68 20.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.2 51.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.05 -27.65 21.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.625 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.723 0.297 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.73 -47.06 82.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -49.67 -32.43 13.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.0 109.996 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.11 -30.47 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.205 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -100.97 28.18 5.46 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -39.51 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.1 pp -51.97 -37.45 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.965 0.412 . . . . 0.0 110.784 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.8 t80 -59.66 -56.49 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.751 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 27.0 t -86.22 17.36 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.79 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.2 mtpp -116.72 -30.87 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.901 0.382 . . . . 0.0 110.471 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -106.3 -24.88 12.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.396 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 m -99.88 -25.76 14.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -96.0 -38.27 10.3 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -62.7 -18.3 62.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.766 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -103.07 -34.11 9.01 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.053 0.454 . . . . 0.0 110.865 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 60' ' ' MET . 12.0 t -79.56 -33.89 41.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -72.21 -27.05 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -31.13 66.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -54.39 -24.12 18.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.921 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.5 29.46 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.608 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mm -89.58 -13.02 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.952 0.406 . . . . 0.0 110.991 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -48.3 79.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -53.32 -28.32 27.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.68 10.83 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.698 ' CG1' HD21 ' A' ' 75' ' ' LEU . 83.8 t -104.26 -58.39 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.032 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -73.32 -28.58 62.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.251 0.548 . . . . 0.0 109.545 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 25.7 t -69.36 -13.28 62.29 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.977 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 t -122.73 -22.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.698 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.9 pp -125.45 -4.14 7.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -112.84 -10.67 13.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.555 0.616 . . . . 0.0 111.527 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 114.74 50.54 0.48 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.3 pt-20 52.3 58.23 5.63 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.471 -0.364 . . . . 0.0 111.71 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.9 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.972 0.415 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -64.36 -26.36 68.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.7 mm-40 -65.26 -34.07 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 22' ' ' LEU . 22.4 t -68.71 -39.75 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.24 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.4 -18.55 28.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.526 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.07 -58.04 3.47 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 18' ' ' VAL . 1.7 mt -64.86 -33.67 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.148 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 38.5 t -72.09 -40.99 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.426 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.2 m -60.1 -34.2 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.726 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.8 61.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.145 0.497 . . . . 0.0 109.961 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -101.31 -16.33 16.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.776 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.7 tt0 -74.36 -35.83 63.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -65.29 -41.41 94.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.179 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.1 79.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -77.69 -27.02 50.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.151 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 m -63.49 -44.16 95.18 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.94 36.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.079 0.466 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -35.28 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.497 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.091 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.719 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -103.82 -56.64 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.198 0.523 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -21.43 65.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.646 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.39 -13.27 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.281 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.31 77.87 0.23 Allowed 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.588 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.719 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 5.6 m-20 175.41 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp -47.55 -29.69 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.83 -53.64 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.848 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.72 18.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -131.49 -31.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 178.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -100.83 -20.1 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.292 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 6.5 p -111.22 -16.65 13.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.659 0.266 . . . . 0.0 111.2 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -112.07 -40.59 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -88.34 6.6 36.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.671 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 mtp -148.26 -29.66 0.3 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -106.45 19.15 20.93 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.539 -179.663 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 63.3 m -136.33 -34.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.501 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -33.13 73.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.0 110.383 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.0 p -55.52 -23.04 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.746 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.46 -24.09 22.33 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.81 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 62' ' ' THR . 23.5 mm -88.3 -14.83 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-O 121.131 0.491 . . . . 0.0 110.962 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -50.15 75.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -64.02 -24.34 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.855 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.46 -23.49 39.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.74 22.31 15.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.518 ' O ' HD23 ' A' ' 75' ' ' LEU . 89.7 t -116.15 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -76.47 -34.04 58.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.947 179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.73 -13.0 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 0.0 109.893 178.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.48 -20.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.26 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 71' ' ' VAL . 1.6 pp -99.03 -43.56 6.63 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.837 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -3.31 7.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.037 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 67.23 42.44 90.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.578 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.9 mm-40 -130.55 -9.42 4.08 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.608 ' C ' HD12 ' A' ' 72' ' ' LEU . 5.2 pt-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.541 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.656 0.265 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -70.91 -17.89 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.0 OUTLIER -67.66 -21.63 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.082 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -98.07 -37.2 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -65.34 -61.44 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.166 0.508 . . . . 0.0 110.478 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.65 -20.07 30.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.343 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.01 -58.84 3.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.51 179.556 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -33.81 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.184 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -33.98 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.8 m -63.91 -35.25 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.679 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -37.12 65.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.15 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -101.82 -14.99 17.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.101 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 5.0 tm-20 -60.92 -35.06 75.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -65.77 -41.81 91.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.026 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.18 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -78.69 -26.54 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.199 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.3 m -68.21 -51.36 46.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.74 -24.17 14.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.305 0.574 . . . . 0.0 110.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -40.64 26.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.065 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.474 0.654 . . . . 0.0 110.436 179.608 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.542 0.21 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 4.2 pt-20 -77.58 -43.68 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.068 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -56.04 -35.52 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.107 0.479 . . . . 0.0 109.929 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.87 -21.08 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.917 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 7.4 mmm180 -84.41 -13.65 51.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.71 0.29 . . . . 0.0 111.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -69.54 -46.76 65.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.933 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -46.49 -31.16 2.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.002 0.43 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -76.93 -56.35 4.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' HG22 ' A' ' 57' ' ' THR . 58.6 m -77.43 10.34 2.62 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -115.07 -21.92 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.742 0.306 . . . . 0.0 110.798 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 21.5 m -111.25 8.32 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -120.34 -22.37 6.55 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.664 0.268 . . . . 0.0 111.708 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -62.09 -14.09 33.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.361 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' N ' ' A' ' 61' ' ' SER . 1.3 ptm -109.54 -35.59 6.19 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.382 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.575 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -74.41 -28.33 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.442 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -87.83 -34.56 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -32.06 49.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.459 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -53.34 -25.09 13.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.286 0.565 . . . . 0.0 110.014 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.28 -21.45 29.74 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.009 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mm -94.2 -18.22 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-O 121.045 0.45 . . . . 0.0 111.104 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -60.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.735 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -26.16 67.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.001 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.24 -27.0 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.262 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 9.47 39.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.347 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.77 HG13 HD12 ' A' ' 75' ' ' LEU . 88.6 t -103.44 -48.65 10.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -80.61 -29.3 36.86 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 109.649 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 11.2 t -67.12 -19.71 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.6 t -123.74 -19.22 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.77 HD12 HG13 ' A' ' 71' ' ' VAL . 13.7 mt -114.57 -15.46 12.0 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -106.1 -14.69 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.293 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.11 42.87 0.88 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 67.52 57.76 0.55 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.619 -0.29 . . . . 0.0 110.977 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.017 0.437 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -68.83 -29.6 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.2 OUTLIER -66.07 -15.8 63.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.61 -35.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -61.58 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.44 -19.11 33.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -80.68 -57.27 3.64 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.09 -32.23 72.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -68.82 -46.4 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.069 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 52.2 m -68.26 -30.25 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.786 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -34.87 65.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.759 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -104.71 -17.44 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -63.55 -44.6 93.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.793 0.33 . . . . 0.0 110.356 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -37.93 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.51 75.87 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -27.87 42.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.012 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.5 m -74.3 -55.91 5.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.061 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.84 -24.48 36.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.03 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.48 -37.23 57.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.041 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.254 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.5 m-20 . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.15 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.987 177.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -40.62 -34.33 0.36 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.21 0.528 . . . . 0.0 110.659 -179.145 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -114.09 -22.16 10.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.796 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -86.69 8.18 23.54 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.378 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 m-20 -102.49 -39.08 7.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -55.48 -24.98 34.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.769 0.318 . . . . 0.0 111.122 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.433 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.4 t80 -100.1 -55.48 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 111.515 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -84.65 27.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.594 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.896 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -146.03 -37.19 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.144 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -97.52 -26.75 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 26.3 m -104.26 -22.15 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.44 -38.47 7.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.394 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -84.9 4.65 32.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.364 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -128.14 -26.29 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -23.22 13.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.599 0.238 . . . . 0.0 111.192 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -89.35 -11.16 44.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.535 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -69.05 -28.87 66.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.473 179.64 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -53.73 -23.77 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.989 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.26 -22.21 57.33 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.736 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 5.2 mp -99.39 -22.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.196 0.522 . . . . 0.0 110.614 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.25 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -27.04 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.213 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -55.58 -27.05 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.076 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 15.3 tp60 -95.83 14.88 21.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.843 HG12 HD23 ' A' ' 75' ' ' LEU . 89.3 t -110.2 -56.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.036 0.446 . . . . 0.0 110.24 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -67.42 -38.97 85.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.637 179.591 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.525 ' N ' ' H ' ' A' ' 79' ' ' GLU . 1.6 p -71.69 -18.45 62.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 42.1 t -105.47 -19.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.962 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.843 HD23 HG12 ' A' ' 71' ' ' VAL . 1.4 pp -100.58 -42.08 6.69 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -3.08 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.203 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 65.06 41.08 97.36 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -115.15 -32.53 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.919 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 70.9 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.239 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -50.34 -25.09 3.45 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -45.9 -43.93 14.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.984 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 22' ' ' LEU . 23.4 t -66.28 -36.69 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.264 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.19 -59.9 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.42 -21.21 35.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.058 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.98 -56.65 4.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.607 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD11 HG12 ' A' ' 18' ' ' VAL . 2.4 mt -63.04 -34.42 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.6 m -65.33 -33.51 76.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.246 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 56.0 m -64.64 -36.63 84.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -36.58 72.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.781 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -93.84 -17.14 23.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.845 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -63.88 -42.49 97.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.41 -38.53 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.023 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -77.69 -28.04 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.908 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.8 m -68.42 -55.85 10.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.316 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.3 -23.03 45.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.02 41.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.149 179.456 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.565 0.221 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -41.67 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -58.3 -25.73 62.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.235 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.58 -18.28 14.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 71.66 1.45 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 3.7 m-20 -139.87 -54.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.364 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -50.2 -36.55 31.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.499 179.612 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -87.15 -52.49 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 46.4 t -72.86 12.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -116.02 -16.56 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.668 178.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 m -109.01 -21.04 12.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.894 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 p -113.59 -26.08 8.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.317 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -104.72 -50.76 3.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' C ' HG22 ' A' ' 62' ' ' THR . . . -68.03 -8.88 41.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.844 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.5 mmm -104.14 -48.35 3.9 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-O 120.917 0.389 . . . . 0.0 110.463 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -73.17 -13.19 61.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.028 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.454 HG22 ' C ' ' A' ' 59' ' ' ALA . 5.3 t -65.08 -42.96 93.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.4 63.1 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.222 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -55.48 -23.06 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.254 0.549 . . . . 0.0 109.657 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.37 -23.88 32.9 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.269 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 62' ' ' THR . 27.1 mm -86.58 -11.38 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.699 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -60.91 2.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.47 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -24.28 66.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.616 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.13 -27.14 65.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -96.43 7.97 45.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.925 HG13 HD21 ' A' ' 75' ' ' LEU . 73.6 t -99.4 -69.54 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.45 -28.66 70.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.166 0.508 . . . . 0.0 109.792 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.66 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 12.0 t -72.22 -10.66 60.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.95 -23.5 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.925 HD21 HG13 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.04 -7.19 6.01 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -106.36 -12.29 15.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.539 0.609 . . . . 0.0 111.571 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.48 41.67 0.67 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.399 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 63.42 56.23 1.68 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 120.556 0.217 . . . . 0.0 111.153 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.949 0.404 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -29.98 67.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.84 -5.86 45.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 22' ' ' LEU . 38.3 t -111.68 -36.62 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -66.13 -63.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.303 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.52 -22.22 54.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.29 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -56.94 4.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.716 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -63.29 -30.47 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.8 t -69.65 -34.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.5 m -64.97 -34.82 79.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.426 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -35.26 64.09 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.263 0.554 . . . . 0.0 109.971 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -102.88 -16.21 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.069 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 18.0 tt0 -61.53 -42.29 98.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -62.23 -36.67 82.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.016 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.52 82.07 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -28.97 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.933 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.8 m -67.47 -53.07 32.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.036 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.9 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.097 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.07 -30.38 34.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.388 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.324 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.326 0.584 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -145.57 -51.24 0.25 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.085 -178.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -121.05 -23.25 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.379 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.22 -18.73 13.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.274 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HB2' ' N ' ' A' ' 46' ' ' ASP . 3.2 mmt180 -138.76 37.16 2.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.495 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -97.66 -31.82 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -40.37 39.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.32 -55.87 21.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 1.022 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 67.5 p -74.48 4.83 5.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.99 -5.11 23.76 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.64 -31.45 0.77 Allowed 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.216 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.63 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 3.3 t -178.91 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 61' ' ' SER . . . 145.4 44.74 0.0 OUTLIER 'General case' 0 C--N 1.346 0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 1.022 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -63.59 -32.78 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.238 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -92.92 -36.22 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.719 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.724 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 15.7 m -67.68 -36.95 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.7 m -58.47 -24.62 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -30.83 69.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -23.99 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.913 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.59 -20.57 28.9 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.803 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.46 -10.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 111.252 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -51.0 63.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -22.35 61.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.233 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -29.58 33.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.683 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.46 1.31 56.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.69 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.32 -64.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -55.78 -26.27 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.497 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 75.4 m -81.48 -15.36 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.7 t -112.1 -18.56 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.754 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 ' CD2' ' HA ' ' A' ' 72' ' ' LEU . 2.5 pp -82.76 -36.09 25.99 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.216 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.18 -78.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.232 0.539 . . . . 0.0 111.242 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -171.36 48.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' N ' ' HA ' ' A' ' 73' ' ' SER . 4.5 tt0 79.46 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.125 0.488 . . . . 0.0 110.298 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 23.9 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.874 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -53.7 -26.55 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.506 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.8 OUTLIER -69.75 -20.4 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.249 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 t -106.39 -34.94 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.44 -20.35 44.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.304 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.68 -58.27 3.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.687 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.14 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' GLU . 20.2 t -70.19 -39.5 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.078 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.617 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.8 m -60.48 -35.55 76.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -35.97 61.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 110.224 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -16.63 15.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.929 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.617 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 4.4 tt0 -64.83 -41.66 95.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.665 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -63.4 -36.21 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -35.85 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -28.64 34.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.011 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -69.74 -47.6 62.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.66 -22.79 37.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.097 0.475 . . . . 0.0 110.316 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.36 31.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.78 0.324 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 31.4 mt-10 -76.67 -48.22 19.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -56.4 -29.86 62.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.252 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -92.93 -18.1 23.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.041 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.644 ' HD3' HD11 ' A' ' 49' ' ' LEU . 2.7 ptt180 -176.44 105.96 0.07 Allowed 'General case' 0 C--N 1.338 0.085 0 CA-C-O 121.26 0.552 . . . . 0.0 111.857 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -175.74 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.497 179.143 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -29.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.122 0.487 . . . . 0.0 110.482 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.491 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -94.66 -53.96 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.073 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 p -82.71 24.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.681 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.0 mmtp -149.95 -44.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.664 0.269 . . . . 0.0 110.673 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 -16.63 22.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.445 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 85.4 m -112.8 -16.18 12.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.176 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -42.01 3.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.39 5.64 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.1 mtp -125.46 -32.86 2.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -85.26 -31.75 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.074 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -91.56 5.31 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.47 66.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.929 0.395 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 t -54.34 -24.59 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.55 -22.05 30.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.674 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' ILE . 27.9 mm -92.58 -10.36 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -51.08 59.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.14 33.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.77 -21.52 41.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' HG ' ' A' ' 73' ' ' SER . 7.6 mt-30 -100.79 13.34 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.267 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.22 -66.85 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -68.52 -24.95 64.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.679 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 14.7 p -75.78 -16.03 60.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.262 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.28 -21.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.8 pp -119.4 -9.92 9.79 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -108.81 -6.2 15.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.368 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.84 46.41 1.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 9.9 tt0 63.76 57.82 1.34 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.611 -0.295 . . . . 0.0 110.876 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' N ' ' HA ' ' A' ' 73' ' ' SER . 34.0 tt0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.948 0.404 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' SER . 13.3 tt0 -64.07 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -86.69 -37.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -60.51 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.462 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.37 -19.99 17.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.39 -57.93 3.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.409 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -33.72 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.708 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.8 m -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -35.93 64.75 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.209 0.528 . . . . 0.0 109.92 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -103.5 -15.56 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.89 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 33.8 tt0 -61.72 -37.46 84.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.676 0.274 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -62.99 -41.89 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.279 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.17 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -83.51 -22.98 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -65.87 -44.3 85.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.25 46.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.137 0.494 . . . . 0.0 110.281 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.99 -28.25 25.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.352 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 179.668 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.7 -41.77 87.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -50.88 -34.75 29.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 0.0 110.29 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.18 -21.5 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.866 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.55 18.28 15.79 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.681 0.277 . . . . 0.0 111.218 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -101.87 -44.02 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -44.28 71.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.515 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -53.06 36.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.87 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.49 ' HB2' ' N ' ' A' ' 61' ' ' SER . 89.8 p -72.35 7.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.003 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -133.96 -9.86 2.68 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.054 178.198 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 t -51.44 -32.64 27.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 22.6 m -145.89 -5.46 0.62 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.252 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 72.46 41.78 0.57 Allowed 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.0 -30.3 12.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.646 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 8.2 mmm -106.79 -0.01 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.611 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' THR . 39.0 t -102.43 -34.22 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.744 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 m -60.04 -38.8 83.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -30.68 42.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.56 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.933 HG22 ' O ' ' A' ' 61' ' ' SER . 1.5 t -52.88 -24.73 9.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.233 0.54 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.97 -24.23 72.43 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.482 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 66' ' ' ILE . 5.0 mp -102.02 -20.23 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -47.0 76.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.286 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.418 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.07 -25.81 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.53 -26.92 34.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -88.39 4.26 46.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.79 HG13 HD12 ' A' ' 75' ' ' LEU . 67.1 t -98.48 -44.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.88 -24.35 35.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.269 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.7 m -68.07 -20.46 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.029 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.38 -19.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.79 HD12 HG13 ' A' ' 71' ' ' VAL . 18.6 mt -112.23 -15.74 13.13 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 22.6 mttp -106.67 -15.24 14.81 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.113 -0.367 . . . . 0.0 111.406 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.38 42.9 0.79 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 2.5 tt0 67.69 57.25 0.54 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.641 -0.28 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mt-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.826 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.901 0.381 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -66.37 -31.06 71.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.99 -36.75 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -60.62 2.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.152 0.501 . . . . 0.0 110.291 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -20.77 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -57.15 4.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.792 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -68.03 -30.79 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.226 179.447 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.98 59.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.903 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 18.7 p -73.51 -31.64 63.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.51 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -38.57 73.53 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.268 0.556 . . . . 0.0 109.664 179.389 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -96.31 -17.19 20.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.875 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 19.0 tt0 -57.84 -39.99 79.03 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.729 0.3 . . . . 0.0 110.746 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -63.45 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.185 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.02 82.39 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -75.25 -28.09 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.821 178.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 m -73.01 -60.08 2.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.163 179.366 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.42 45.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.153 0.501 . . . . 0.0 109.916 179.05 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.94 65.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.691 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.816 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.628 0.251 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 3.4 mp0 -81.12 -46.74 14.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.588 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -54.52 -24.77 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.9 -17.8 14.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.056 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -161.07 96.36 1.09 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.315 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -161.81 -50.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.493 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -49.59 -36.0 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.032 0.444 . . . . 0.0 110.738 179.72 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -64.04 -57.08 10.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.45 14.78 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.865 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.9 ttpp -112.1 -12.82 13.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.049 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.9 p -118.35 -10.99 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.138 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -111.75 -8.87 14.13 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.585 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -139.51 -49.33 0.49 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.306 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -58.59 -14.14 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.33 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.4 ptm -126.78 -41.18 1.85 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -42.49 53.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.591 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 39.2 m -71.92 -8.53 54.93 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -31.42 69.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.985 0.422 . . . . 0.0 110.361 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -56.03 -23.61 34.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.872 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.91 -20.21 29.12 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.811 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 66' ' ' ILE . 41.0 mm -93.86 -8.84 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.79 71.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -28.77 16.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.411 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -56.1 -24.04 37.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.1 pt20 -89.17 1.51 55.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.577 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.765 HG12 ' CD1' ' A' ' 75' ' ' LEU . 88.4 t -100.77 -71.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.467 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.71 -26.98 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.359 179.223 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 19.4 m -71.78 -30.06 65.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.718 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 14.6 t -101.06 -20.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.171 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.765 ' CD1' HG12 ' A' ' 71' ' ' VAL . 83.6 mt -68.14 -46.14 71.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.648 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.0 -67.58 0.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.348 0.594 . . . . 0.0 111.328 -178.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.77 51.88 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.909 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.537 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.0 tt0 77.23 56.85 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.089 0.471 . . . . 0.0 110.191 -179.202 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 5.5 tm-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.911 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -67.39 -16.68 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.535 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -38.75 74.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.54 -35.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.722 179.529 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -60.56 3.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.262 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.18 -19.98 37.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.355 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -58.13 3.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.636 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.85 -31.76 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -71.81 -38.53 70.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.1 p -66.99 -31.86 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -36.15 60.46 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.274 0.559 . . . . 0.0 109.918 179.194 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -21.54 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.817 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 11.9 tt0 -66.08 -38.14 87.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -63.48 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.15 80.91 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.797 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -81.07 -24.97 37.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.382 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.48 -43.19 77.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -21.99 21.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.45 -31.66 24.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.538 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' CB ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 111.051 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 mt-10 50.52 26.99 2.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.437 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 50.23 29.75 3.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.594 0.712 . . . . 0.0 109.373 -178.502 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -119.34 -42.55 2.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.273 -179.086 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.9 ttt180 -83.48 -5.67 59.23 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.283 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.03 -54.99 29.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.59 179.293 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.77 -32.66 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.713 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.778 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -65.46 -57.3 8.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.611 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 17.31 8.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.76 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -13.39 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -112.25 -26.51 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 53' ' ' TYR . 13.6 t -105.68 4.98 30.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.764 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.65 -49.25 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.43 -11.45 33.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.488 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ptm -129.26 -41.82 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.749 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.82 -44.07 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.619 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.5 m -84.3 -17.89 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.498 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -30.93 67.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.903 0.383 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -25.27 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.322 0.582 . . . . 0.0 109.89 179.275 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.33 -20.42 30.0 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 66' ' ' ILE . 44.7 mm -93.23 -12.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.9 0.381 . . . . 0.0 110.98 179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -47.32 82.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -21.32 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -27.83 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.42 5.3 48.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 75' ' ' LEU . 57.9 t -101.4 -64.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -56.33 -27.79 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.063 0.459 . . . . 0.0 109.899 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.4 t -74.11 -9.37 58.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.114 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.73 -22.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -133.02 -5.82 3.09 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -178.336 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.829 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -106.79 -12.18 15.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.971 0.805 . . . . 0.0 111.735 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.76 0.56 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.705 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.656 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.5 OUTLIER 62.3 59.13 1.63 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.479 0.181 . . . . 0.0 111.433 179.758 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.2 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.217 -0.896 . . . . 0.0 111.03 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -55.18 -26.65 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.4 tt0 -65.73 -45.97 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.497 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.4 -35.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.185 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.33 -19.69 56.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.247 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.01 -56.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.835 179.833 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.09 89.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.304 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -65.27 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.633 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 43.4 m -64.28 -35.05 79.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.428 179.536 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -40.64 61.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.18 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -97.16 -16.55 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.155 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 21.1 mt-10 -51.44 -41.63 60.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.334 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -62.14 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.54 75.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 -24.56 35.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.063 178.786 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -67.15 -48.78 67.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.88 35.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.92 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.553 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 56.4 mt-10 -77.17 -47.03 21.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.57 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -35.75 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 109.965 179.237 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -91.6 -16.01 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.251 179.801 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 87.26 1.71 Allowed 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 111.502 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 179.16 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 179.453 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.08 -34.53 22.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.46 . . . . 0.0 110.493 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' O ' ' HB ' ' A' ' 57' ' ' THR . 2.2 t80 -92.26 -53.43 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.692 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -81.76 27.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.614 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 8.9 ttmm -163.44 -53.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.21 10.11 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 39.6 m -133.51 -32.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 110.877 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.63 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.82 -12.37 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.713 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -98.43 -33.75 10.91 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.0 0.429 . . . . 0.0 110.568 179.546 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.69 -30.1 32.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 179.674 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -73.09 -6.88 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -31.32 68.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.622 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -24.54 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.757 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -22.42 31.69 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.449 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.9 -12.45 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.766 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.487 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -64.77 -46.23 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.252 179.906 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.438 ' HA ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -61.14 -21.45 63.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.97 -179.286 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -29.68 46.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 67' ' ' PHE . 5.3 pp0? -95.14 6.28 49.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.661 0.267 . . . . 0.0 111.517 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.638 HG13 HD12 ' A' ' 75' ' ' LEU . 57.6 t -93.2 -41.02 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -92.79 -19.07 22.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 30.2 t -78.15 -15.56 58.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 178.764 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.95 -16.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.947 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.638 HD12 HG13 ' A' ' 71' ' ' VAL . 7.5 mt -118.12 -14.86 9.9 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 2.5 mttt -106.89 -10.87 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.13 -0.356 . . . . 0.0 111.249 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.97 43.96 0.91 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.26 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 61.85 58.31 1.97 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.292 . . . . 0.0 111.591 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.801 ' CB ' HD12 ' A' ' 72' ' ' LEU . 7.6 mm-40 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.704 179.15 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.796 0.331 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 m -48.45 -29.05 3.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.683 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 31.4 tt0 -60.15 -61.0 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.637 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.81 -34.71 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.69 -60.44 3.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.38 -20.29 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.165 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.52 -56.97 3.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -68.3 -39.65 81.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.627 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 70.5 m -66.48 -32.19 73.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -38.29 68.32 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.26 0.552 . . . . 0.0 110.006 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -100.49 -15.85 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.775 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 12.2 tp10 -62.62 -37.14 85.1 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -64.6 -42.08 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.17 81.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -24.99 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.945 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -72.62 -60.59 2.16 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.264 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.22 66.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.858 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.61 -40.29 49.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.87 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.333 -0.12 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.751 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 1.2 m-20 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.674 0.273 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.24 -46.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -54.14 -46.74 72.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.046 0.45 . . . . 0.0 109.938 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.4 pp -77.07 -17.99 58.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.651 179.148 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -100.11 13.07 35.37 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.16 179.675 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -42.41 14.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.449 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.89 -39.02 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.91 -58.13 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 60' ' ' MET . 0.0 OUTLIER -80.24 17.59 1.01 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.086 -179.707 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 -19.0 7.28 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.61 178.631 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -33.85 1.79 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.557 0.694 . . . . 0.0 109.43 178.022 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.0 t 179.55 29.9 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.152 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 76.97 42.08 0.15 Allowed 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.521 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.08 86.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.26 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.428 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.5 mmt -131.38 -1.6 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.552 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.7 p -83.44 -17.68 41.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.606 0.241 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 t -54.82 -45.82 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -32.77 71.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -55.58 -23.18 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.284 0.564 . . . . 0.0 109.878 179.182 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.66 -21.09 29.79 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 178.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 66' ' ' ILE . 36.7 mm -90.03 -12.63 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -48.13 36.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -19.35 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.62 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -25.68 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.632 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -99.38 15.52 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.831 HG12 HD23 ' A' ' 75' ' ' LEU . 96.2 t -112.86 -53.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -72.18 -36.73 69.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.323 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.416 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -75.29 -9.38 58.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.584 178.606 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.02 -18.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 HG12 ' A' ' 71' ' ' VAL . 1.9 pp -102.26 -38.01 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.014 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' A' ' 78' ' ' GLU . 3.1 tttp -108.59 -8.01 15.57 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.439 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.22 34.4 89.86 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.86 -27.99 0.48 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.848 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.542 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 3.6 tm-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.622 -179.186 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.905 0.384 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.7 m -58.4 -31.45 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.2 mt-30 -74.2 -7.55 53.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.12 -35.79 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.399 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -65.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.809 179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.5 -21.32 59.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.057 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -72.38 -56.06 6.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.357 179.393 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.03 -38.09 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.023 179.377 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.54 -34.99 76.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.206 179.387 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.1 m -61.09 -36.43 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -38.12 62.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.325 0.583 . . . . 0.0 109.862 179.379 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -99.47 -16.67 18.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.856 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 6.5 tt0 -67.51 -40.44 85.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.723 0.296 . . . . 0.0 111.022 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 -39.86 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.135 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.96 80.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.18 -27.87 57.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.835 178.601 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.8 m -73.31 -60.27 2.32 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.85 41.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -43.13 31.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.211 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.657 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.8 0.333 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -55.21 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -29.72 12.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.7 -19.29 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 0.47 44.61 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.355 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -71.66 -51.63 22.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.806 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.74 -31.14 4.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 57' ' ' THR . 2.4 t80 -63.56 -57.47 10.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.63 17.28 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.598 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -114.5 -29.62 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.375 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.3 p -109.4 10.08 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 53' ' ' TYR . 16.5 p -130.54 -22.28 2.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.281 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.47 -44.47 2.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.79 -12.78 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.338 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -111.77 -35.36 5.76 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.006 0.432 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -68.59 -23.18 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.954 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -79.74 -37.49 35.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -31.42 63.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -25.65 15.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.357 0.598 . . . . 0.0 109.808 179.426 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.73 -24.04 34.12 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.627 178.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -92.81 -13.04 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -47.05 85.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -53.27 -25.17 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.166 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -55.99 -27.88 54.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.9 0.381 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.57 13.29 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 75' ' ' LEU . 98.4 t -100.87 -68.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.35 -28.66 70.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 179.35 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.629 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 t -70.07 -12.51 61.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.117 179.162 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.91 -21.32 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD21 HG13 ' A' ' 71' ' ' VAL . 3.5 pp -127.4 -9.06 5.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.529 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -103.22 -16.59 15.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.539 0.609 . . . . 0.0 111.292 179.645 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.79 40.47 0.52 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER 63.68 59.78 1.14 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.665 -0.267 . . . . 0.0 111.416 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.901 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.025 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HB ' HG22 ' A' ' 16' ' ' THR . 73.3 p . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.897 0.38 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -60.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -60.11 -56.26 23.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.2 t -58.91 -28.67 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.62 -36.16 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -64.47 -61.0 2.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.515 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.11 -21.13 20.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -57.29 3.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.35 -35.24 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -36.62 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.792 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -60.33 -36.97 79.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -38.84 65.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.251 0.548 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -97.24 -15.89 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.194 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 8.0 mt-10 -53.29 -42.56 66.71 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.94 92.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.87 83.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.493 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.07 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -72.52 -59.59 2.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.429 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -27.05 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.07 -25.57 40.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.64 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' C ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -81.17 -48.85 11.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -56.65 12.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -28.31 68.34 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -78.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.893 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -163.7 26.91 0.08 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.291 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -86.37 -34.32 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 0.0 110.242 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 m -141.83 -21.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.237 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -64.22 0.84 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.919 0.39 . . . . 0.0 110.933 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.1 mt -152.51 48.93 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 73.8 Cg_endo -73.97 -24.62 14.96 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.42 2.08 . . . . 0.0 111.64 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . 71.87 28.83 2.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.781 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 49' ' ' LEU . 97.8 t -146.87 -88.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 66.19 98.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 37.58 -74.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.481 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.5 -33.9 0.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.276 0.56 . . . . 0.0 110.439 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CB ' HG13 ' A' ' 45' ' ' VAL . 23.9 mt -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.257 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.571 ' HB2' HG12 ' A' ' 45' ' ' VAL . 6.0 ttp180 -96.77 35.73 1.49 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -130.07 -39.03 1.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.05 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.2 pp -56.21 -38.15 70.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.697 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t80 -83.03 -55.1 4.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.481 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' A' ' 60' ' ' MET . 0.5 OUTLIER -76.6 19.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.83 -18.88 2.67 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.872 178.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -45.89 -34.16 3.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.674 0.749 . . . . 0.0 109.166 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.7 t 178.51 32.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.71 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 75.45 42.9 0.21 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 53' ' ' TYR . . . -61.31 -33.09 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.585 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.445 ' H ' ' HA ' ' A' ' 54' ' ' SER . 16.8 mtt -135.66 -0.03 2.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.692 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -79.96 -56.59 4.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.7 m -95.0 -14.59 24.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.011 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.49 65.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.47 -24.92 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.338 0.589 . . . . 0.0 110.012 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.16 -20.39 28.02 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.853 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -94.29 -12.41 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.619 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -64.13 -54.59 31.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -32.69 69.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -57.48 -30.65 65.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 74' ' ' VAL . 1.1 tp60 -94.9 12.07 29.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 75' ' ' LEU . 99.2 t -106.24 -57.91 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.696 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.782 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.78 -37.13 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 -9.14 58.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.269 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.437 HG21 ' HG3' ' A' ' 70' ' ' GLN . 60.3 t -116.83 -18.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' VAL . 1.8 pp -98.26 -37.99 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.088 0.47 . . . . 0.0 109.948 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -115.49 -7.31 12.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.346 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.16 35.9 92.56 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -137.72 -29.8 0.84 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.782 ' C ' HD12 ' A' ' 72' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.537 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 14' ' ' PHE . 1.9 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.554 0.216 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.724 ' H ' HG22 ' A' ' 13' ' ' THR . 0.2 OUTLIER -107.63 -28.74 9.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.814 0.34 . . . . 0.0 111.354 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -100.23 -33.45 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.268 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.19 -28.55 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -66.56 -27.44 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.32 -37.36 17.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.18 -60.63 3.16 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.16 0.505 . . . . 0.0 110.313 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.8 -17.57 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.672 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -82.55 -60.27 2.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -32.36 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.658 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 t -67.84 -45.51 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.686 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -69.76 -27.91 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.723 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -33.43 63.63 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.233 0.54 . . . . 0.0 109.686 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -18.58 13.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.782 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -71.41 -38.14 71.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -66.52 -40.15 89.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.158 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -33.17 73.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.22 -24.04 37.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.3 m -74.84 -58.76 3.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.082 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.91 67.66 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.748 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.68 -24.48 38.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.934 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.917 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -73.55 -45.96 50.34 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.563 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.697 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -62.03 -40.45 95.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.784 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -36.57 71.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' O ' ' HB2' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -163.75 -7.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.561 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.917 ' HB2' ' HA ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -77.9 -49.78 13.53 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.055 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.697 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -73.24 -37.48 66.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.336 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.59 ' HA ' ' CB ' ' A' ' 44' ' ' ALA . 11.7 m -73.23 -21.64 60.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.294 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -57.98 -39.14 77.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.524 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.586 ' H ' ' HD2' ' A' ' 43' ' ' PRO . 1.1 mt -143.99 -61.2 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.903 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' A' ' 39' ' ' LYS . 61.1 Cg_endo -71.75 62.11 3.02 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.126 1.884 . . . . 0.0 112.41 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' CB ' ' HA ' ' A' ' 40' ' ' THR . . . -155.23 18.01 0.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.483 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -99.99 -40.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 110.03 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -69.62 -41.1 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.541 179.34 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 31.1 mt-10 -61.83 -55.59 28.33 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.029 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -36.77 38.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -85.02 -12.73 52.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.875 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 2.5 ptm85 -173.01 97.0 0.12 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.939 0.4 . . . . 0.0 111.477 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -163.49 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.16 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.5 OUTLIER -47.72 -25.72 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.664 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -79.5 -58.37 3.23 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 121.03 0.443 . . . . 0.0 110.756 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 20.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.252 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -145.76 -50.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.062 178.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 15.9 m -96.07 7.89 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.738 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.664 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 76.7 m -130.7 -29.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.53 -50.61 2.89 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -61.77 -14.34 31.69 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.117 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -38.89 6.29 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.771 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -74.09 -31.96 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.253 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -79.58 -32.55 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -75.9 -31.27 59.11 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -22.93 12.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.318 0.58 . . . . 0.0 109.899 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.81 -20.64 36.25 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.762 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 66' ' ' ILE . 29.7 mm -92.65 -8.46 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -53.54 18.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -62.28 -24.28 67.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.69 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -20.07 2.16 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.04 7.91 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.216 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 75' ' ' LEU . 95.1 t -102.33 -47.99 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.675 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.732 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -81.87 -22.41 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.5 t -78.64 -7.2 57.39 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.32 -15.51 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 71' ' ' VAL . 4.2 mt -123.48 -17.09 6.61 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.732 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -103.52 -9.77 19.03 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 122.053 -0.404 . . . . 0.0 110.997 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.29 40.86 0.85 Allowed Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.4 tt0 62.26 53.43 2.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.36 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.719 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 1.1 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.814 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.469 HG22 HD12 ' A' ' 15' ' ' LEU . 15.0 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.617 0.246 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' THR . 34.2 t80 67.06 -15.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD12 HG22 ' A' ' 13' ' ' THR . 10.5 mt -88.13 -18.62 28.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.681 0.277 . . . . 0.0 111.114 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -61.71 -26.03 67.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.01 -49.05 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.052 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.94 -36.78 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.238 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -61.48 -58.47 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.12 0.486 . . . . 0.0 110.27 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.83 -19.7 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.27 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -58.14 3.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.61 -31.65 70.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 m -64.43 -33.11 75.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.9 m -66.61 -33.91 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.531 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -33.79 63.73 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.28 0.562 . . . . 0.0 110.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -106.5 -15.45 14.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.063 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -55.73 -41.65 74.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.983 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.41 78.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -28.28 46.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.261 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -67.56 -47.67 69.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.96 21.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.225 0.536 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -32.54 36.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 4.7 mt-30 -70.68 -32.91 70.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 3.9 t-20 -59.37 -39.43 83.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.083 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -33.48 13.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.173 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.75 -14.04 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -78.5 -23.75 46.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.616 0.246 . . . . 0.0 111.238 -179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' C ' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -58.95 -19.09 39.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.029 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -125.49 -18.09 5.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.696 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -57.9 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.668 0.271 . . . . 0.0 111.528 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.543 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 15.3 mt -149.85 56.15 2.16 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.212 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 53.4 Cg_endo -89.37 -70.45 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.685 2.257 . . . . 0.0 112.661 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.12 57.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.774 0.321 . . . . 0.0 111.786 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 -47.85 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.61 -15.49 60.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.227 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -53.13 6.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -42.17 63.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.2 pp -81.24 -16.62 52.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.134 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 57.45 1.68 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.038 0.447 . . . . 0.0 110.795 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -113.06 -54.36 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.027 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -34.86 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.03 -56.23 4.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.39 17.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.013 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -119.77 -26.16 5.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 110.542 179.089 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.31 1.88 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.336 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.3 m -122.78 -29.5 3.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.566 0.222 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.03 -43.25 3.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.439 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -69.17 -9.34 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.502 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -96.89 -36.19 10.66 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.5 OUTLIER -93.24 -36.45 12.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 66' ' ' ILE . 5.2 m -80.42 -8.48 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.12 -31.57 72.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 p -55.42 -24.65 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.508 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.84 -24.86 24.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.306 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.2 mm -87.15 -6.2 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -45.9 71.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.223 0.535 . . . . 0.0 110.61 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -22.93 66.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 12.8 m-20 -53.53 -27.16 24.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.837 0.351 . . . . 0.0 111.244 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -90.17 7.53 37.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 75' ' ' LEU . 98.3 t -98.8 -46.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.315 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -82.75 -21.99 34.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.996 0.427 . . . . 0.0 109.853 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 5.3 t -70.06 -21.35 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.854 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.08 -18.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.982 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.732 HD12 HG13 ' A' ' 71' ' ' VAL . 17.3 mt -114.61 -16.21 11.88 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -107.68 -15.13 14.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.446 0.566 . . . . 0.0 111.477 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.19 42.39 0.55 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.608 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 13.5 tt0 65.0 57.33 0.98 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.966 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.6 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.789 0.328 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -150.54 -60.98 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -101.25 -36.55 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.318 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.1 m -63.55 -20.0 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.79 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' SER . 14.1 pt20 -63.75 -14.49 52.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.466 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.63 -36.24 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 0.0 110.869 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -67.09 -63.14 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.27 -19.93 50.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.128 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.44 -57.96 3.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.791 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.7 -32.01 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.171 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -67.12 -36.04 81.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.559 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 70.2 m -61.95 -35.47 78.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.494 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -34.91 60.59 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.341 0.591 . . . . 0.0 109.877 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 1.3 t-105 -101.12 -21.21 15.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.794 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -69.94 -35.93 74.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.732 0.301 . . . . 0.0 111.012 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -65.39 -36.96 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.47 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.28 86.76 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 26' ' ' TRP . 9.3 mmmm -79.05 -25.33 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.807 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -69.42 -54.17 15.71 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.153 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.15 -23.26 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.119 0.485 . . . . 0.0 110.258 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -88.17 -22.16 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.668 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.0 mt-30 -83.15 -39.9 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.23 -55.28 37.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.181 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -23.37 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 35.0 m-85 -105.17 -2.3 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 3.6 mt-10 -141.53 -40.57 0.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 24.3 mmtt -76.28 -57.31 3.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.77 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.814 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . 33.4 m -81.2 -17.49 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 111.219 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -39.9 81.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.761 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 7.4 mt -142.74 -59.19 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 59.4 Cg_endo -71.39 48.94 1.02 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.284 1.989 . . . . 0.0 113.364 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.814 ' HB3' ' HA ' ' A' ' 40' ' ' THR . . . -177.23 25.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.206 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.62 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.797 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -61.75 -40.81 96.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.354 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.63 -55.48 34.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -30.19 45.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.957 0.408 . . . . 0.0 110.249 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 49' ' ' LEU . 12.1 mt -88.07 -21.03 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.542 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -110.62 20.73 17.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 15.1 p-10 -72.17 -58.98 2.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.311 0.576 . . . . 0.0 110.342 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' H ' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -46.79 -37.14 8.15 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.452 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t80 -70.5 -55.05 9.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 10.8 p -82.73 16.89 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.166 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -123.28 -19.98 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.507 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.66 -36.96 1.56 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 109.7 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 t -174.8 26.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.105 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.598 ' HB1' ' OG1' ' A' ' 62' ' ' THR . . . 81.27 39.91 0.06 Allowed 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -56.27 -39.63 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.228 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 74.2 mtm -139.2 -0.13 1.86 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.835 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 54' ' ' SER . 2.9 m -76.89 -31.77 56.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.99 0.424 . . . . 0.0 110.242 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.598 ' OG1' ' HB1' ' A' ' 58' ' ' ALA . 86.2 m -86.06 -16.29 38.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -30.81 68.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.451 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -53.67 -24.62 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.796 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.11 -25.82 50.72 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.647 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 4.9 mp -95.21 -15.48 7.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -49.0 63.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.732 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -25.46 39.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 1.2 m-20 -55.91 -22.41 25.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.59 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.19 6.88 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.366 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.819 HG13 HD12 ' A' ' 75' ' ' LEU . 95.9 t -106.23 -44.65 7.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -85.6 -25.6 26.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 46.8 t -70.83 -17.26 62.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.4 t -123.87 -18.84 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.023 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.819 HD12 HG13 ' A' ' 71' ' ' VAL . 11.8 mt -117.23 -16.18 10.38 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 5.4 mttm -104.06 -16.59 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.417 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.5 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 65.99 58.02 0.77 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.678 -0.261 . . . . 0.0 111.562 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 72' ' ' LEU . 22.6 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 ' HB ' HG22 ' A' ' 16' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.726 0.298 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.16 -44.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.18 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.414 HG22 ' HB ' ' A' ' 13' ' ' THR . 4.5 t -61.43 -24.42 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.9 tp60 -55.6 -43.64 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.39 -39.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.457 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -59.31 5.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 110.309 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.42 -18.68 41.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.145 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.24 -57.7 3.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.432 179.409 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -39.52 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.022 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 m -65.31 -33.63 76.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.9 m -70.71 -31.44 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.308 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -35.14 62.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.199 0.523 . . . . 0.0 109.885 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -106.34 -15.88 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.899 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 9.5 tp10 -58.42 -43.85 88.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 t -61.31 -37.97 85.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 110.37 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.96 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -28.32 50.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.714 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.7 m -71.92 -58.56 3.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.318 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -22.38 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.3 -30.1 54.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.34 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.413 ' ND2' ' HG3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.269 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -29.36 69.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.514 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.45 -3.32 40.27 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -139.77 -55.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' ND2' ' A' ' 35' ' ' ASN . 6.4 mmtp -72.66 -2.11 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -125.63 -11.93 6.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.635 0.255 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.638 ' HB3' ' HD2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.38 -159.75 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.632 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.4 mt -51.08 -52.07 61.89 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.163 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 41' ' ' TYR . 42.5 Cg_endo -68.18 19.62 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.466 2.111 . . . . 0.0 113.714 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 42' ' ' LEU . . . -133.48 11.81 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.754 0.312 . . . . 0.0 111.259 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 42' ' ' LEU . 38.5 t -74.74 -33.42 31.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.022 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -24.97 48.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 51.9 mt-10 -76.37 -53.69 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -50.99 -33.18 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.411 . . . . 0.0 110.398 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -92.7 -15.79 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.164 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -147.69 81.42 1.51 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.278 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -157.22 -49.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.867 179.412 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.4 pp -42.37 -32.01 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.04 0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.734 ' O ' HG22 ' A' ' 57' ' ' THR . 1.9 t80 -82.44 -56.07 4.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.962 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 m -77.28 12.72 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.319 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.79 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 tttm -122.23 -9.92 8.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.698 0.285 . . . . 0.0 110.865 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' HG2' ' A' ' 60' ' ' MET . 0.5 OUTLIER -119.12 3.71 11.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.3 t -122.22 -19.4 6.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.79 -46.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.563 0.221 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -64.08 -12.81 42.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.405 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.465 ' HG2' ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -100.18 -37.62 8.85 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.094 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -32.33 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.4 m -81.0 -23.54 38.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.43 72.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -53.59 -26.58 22.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.41 0.624 . . . . 0.0 109.603 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.06 -25.74 23.63 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.365 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 66' ' ' ILE . 33.8 mm -86.72 -8.53 11.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.755 0.312 . . . . 0.0 111.076 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -48.4 81.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.658 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -27.28 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.576 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.3 OUTLIER -58.67 -19.02 35.74 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' OE1' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -104.22 10.28 35.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.171 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 75' ' ' LEU . 75.2 t -98.92 -43.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.233 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -92.03 -20.39 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.162 0.506 . . . . 0.0 109.677 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -83.27 -10.92 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -125.37 -17.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 71' ' ' VAL . 1.3 mt -124.5 -12.89 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 5.0 mttt -108.14 -11.25 15.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.046 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.12 0.58 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.78 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 1.8 tp10 59.71 57.56 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.562 0.22 . . . . 0.0 111.578 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.61 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.924 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -37.69 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.24 -34.31 56.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.059 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -67.73 -17.28 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -77.4 -11.12 59.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.9 -36.96 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -62.0 1.81 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.149 0.499 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.21 -20.41 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.359 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -77.36 -58.04 3.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.57 -34.35 76.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.384 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -37.57 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.431 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 14.6 m -64.59 -33.65 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -35.55 66.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -18.52 17.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.77 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 31.7 tt0 -60.0 -32.97 71.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.064 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -43.2 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.38 . . . . 0.0 110.324 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -34.36 77.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -23.13 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.201 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -69.67 -55.81 8.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -24.13 54.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.156 0.503 . . . . 0.0 110.231 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.36 -36.73 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.067 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.87 -31.98 73.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -56.96 -57.52 12.18 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.69 -26.44 54.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.93 -1.41 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.529 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -144.0 -62.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.833 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mtpt -56.33 -44.27 79.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.232 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 m -79.42 -28.95 41.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -27.68 68.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -64.93 162.18 40.28 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.633 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 45' ' ' VAL . 72.9 Cg_endo -76.67 46.87 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.558 2.172 . . . . 0.0 113.288 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.37 56.93 7.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.85 0.357 . . . . 0.0 111.669 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 50' ' ' ARG . 32.5 t -92.94 -58.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -83.72 3.13 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.45 46.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.61 24.12 0.73 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.969 0.414 . . . . 0.0 110.751 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.61 -35.87 4.1 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' HG13 ' A' ' 45' ' ' VAL . 2.8 ttt-85 -131.75 10.6 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.664 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -48.99 79.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.69 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.7 pp -48.44 -33.7 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.3 t80 -69.14 -55.44 10.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.904 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.6 t -82.59 16.24 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.838 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.8 tppt? -113.2 -24.8 9.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.851 0.358 . . . . 0.0 110.402 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.5 m -103.55 -28.22 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.43 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.2 p -101.9 -28.78 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -91.8 -42.35 10.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.738 0.304 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.34 -14.5 62.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.41 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 mtt -100.11 -32.77 10.76 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.301 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 -21.6 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 62' ' ' THR . 60.5 m -80.46 2.22 26.05 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.393 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.45 67.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.55 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -52.11 -25.99 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.949 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.9 -24.46 29.91 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.69 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -91.25 -9.83 10.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 111.062 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -46.35 74.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.63 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.773 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.03 -31.62 63.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.4 tp60 -89.03 -2.35 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.755 HG12 HD11 ' A' ' 75' ' ' LEU . 57.4 t -99.69 -66.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -51.07 -29.97 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.967 0.413 . . . . 0.0 110.418 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.518 ' HA ' ' H ' ' A' ' 78' ' ' GLU . 6.0 m -70.66 -27.64 64.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.997 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.2 t -101.97 -20.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.985 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.755 HD11 HG12 ' A' ' 71' ' ' VAL . 90.6 mt -68.4 -46.84 68.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 -67.6 0.56 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.283 0.563 . . . . 0.0 111.284 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.69 51.68 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.964 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' H ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 79.62 63.14 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.572 ' C ' HD13 ' A' ' 72' ' ' LEU . 5.1 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.013 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.933 0.396 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -91.39 -37.91 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.331 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.31 -43.46 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.56 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.23 -34.92 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -7.2 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -112.12 -36.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.26 -21.11 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -57.08 4.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.335 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.055 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -70.92 -43.95 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 39.2 m -65.08 -32.27 73.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.194 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -35.55 70.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.315 0.579 . . . . 0.0 109.684 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -97.22 -18.97 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.522 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -67.67 -38.16 83.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.984 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.84 -38.21 90.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.324 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.57 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -24.08 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.332 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.8 m -72.99 -43.78 61.82 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.35 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.13 0.491 . . . . 0.0 110.229 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.73 23.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.721 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.43 -45.73 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 111.333 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -55.06 -16.76 3.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.394 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -125.56 -75.06 0.59 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.226 0.536 . . . . 0.0 112.153 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.75 -41.98 57.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.153 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 12.3 tptm -65.85 -15.38 62.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 39' ' ' LYS . 0.4 OUTLIER 78.82 -36.4 0.18 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -21.04 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -179.319 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 36' ' ' LEU . 8.5 mt -58.27 170.96 0.64 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.677 0.275 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 42' ' ' LEU . 51.3 Cg_exo -54.83 -6.13 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.905 2.403 . . . . 0.0 113.686 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.35 15.39 2.02 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 42' ' ' LEU . 19.4 t -56.69 -41.56 74.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.336 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.18 71.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 5.4 mm-40 -79.12 -48.82 13.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -36.91 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.427 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -18.54 22.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.367 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -137.97 83.34 1.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.006 0.431 . . . . 0.0 111.717 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -177.59 -44.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.641 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -30.75 2.05 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.052 0.453 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -64.96 -56.6 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.593 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 57' ' ' THR . 13.1 m -86.06 14.97 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.89 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -113.3 -28.32 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 0.0 110.655 179.315 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 76.6 p -107.07 8.21 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 53' ' ' TYR . 7.4 t -123.85 -22.57 4.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 -46.0 0.71 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 111.581 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -56.42 -19.03 13.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.662 0.268 . . . . 0.0 111.144 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.6 OUTLIER -120.87 -34.35 3.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.136 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.4 -25.52 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.016 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.9 m -91.03 8.32 35.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.222 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.41 -30.41 63.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.922 0.391 . . . . 0.0 110.586 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -54.02 -22.58 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.056 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.26 -21.66 60.24 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.71 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' THR . 4.6 mp -101.66 -23.89 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 110.447 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -49.1 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.309 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -24.64 51.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.616 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 73' ' ' SER . 0.4 OUTLIER -60.58 -13.81 16.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.644 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 9.75 22.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.543 0.211 . . . . 0.0 111.472 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.746 HG12 ' CD2' ' A' ' 75' ' ' LEU . 46.2 t -100.26 -65.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.175 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -73.64 -28.39 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.717 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.4 t -66.75 -22.08 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.79 -22.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.746 ' CD2' HG12 ' A' ' 71' ' ' VAL . 1.5 pp -98.56 -22.88 15.74 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.056 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -106.68 -8.7 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.734 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.49 44.45 2.73 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.717 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 77.14 61.04 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.431 -0.384 . . . . 0.0 111.284 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.7 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.99 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.983 0.421 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -152.25 -51.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.38 -31.47 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -54.24 -24.92 20.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.243 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -38.86 73.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.46 -35.84 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -60.97 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.656 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.7 -21.7 19.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.356 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -58.47 3.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.797 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -26.69 68.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.473 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -69.46 -32.2 70.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -65.13 -36.18 83.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -36.84 74.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.696 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -93.48 -16.07 24.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.918 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.9 tt0 -57.62 -38.75 75.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -42.34 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.223 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.46 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -79.02 -25.25 43.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.223 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.1 m -61.92 -40.19 94.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.31 -21.81 16.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.04 -37.18 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.268 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.31 -34.04 77.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 1.6 t-20 -52.59 -60.7 2.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -22.54 64.41 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.031 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -69.96 -71.69 0.23 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.881 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.674 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -148.6 -1.34 0.52 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.52 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 6.1 mtpt -73.53 -41.02 63.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.329 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -89.09 -33.75 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.694 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -29.21 32.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.227 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.867 HD22 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -81.04 166.73 36.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.603 ' HD2' HD23 ' A' ' 42' ' ' LEU . 63.1 Cg_endo -74.39 50.13 2.23 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.53 2.153 . . . . 0.0 113.583 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 43.86 48.63 7.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.761 ' HB ' HD23 ' A' ' 49' ' ' LEU . 8.4 t -75.21 -67.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 5.7 m-20 73.6 104.39 0.07 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.094 0.473 . . . . 0.0 110.979 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 17.4 mt-10 84.73 -62.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.203 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -51.92 -45.61 64.32 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.867 HD22 HD22 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -78.86 -27.8 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.742 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.44 26.93 3.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -104.49 -46.64 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.443 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -33.79 30.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.805 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -92.34 -53.17 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.341 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.98 25.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.34 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -144.59 -40.74 0.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.693 179.329 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -92.39 -19.54 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.2 m -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.274 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.65 -46.39 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.27 2.25 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.235 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.61 -33.57 2.75 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.587 0.232 . . . . 0.0 111.502 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -11.12 21.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -106.78 -11.93 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -24.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.21 -23.85 55.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.984 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.3 mp -103.44 -15.51 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 CA-C-O 120.991 0.424 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.56 -48.36 55.7 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -27.74 46.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.46 -25.46 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.283 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.86 16.54 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.689 ' CG1' HD21 ' A' ' 75' ' ' LEU . 85.5 t -108.39 -64.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.753 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.53 -31.97 70.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.638 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -69.94 -13.27 62.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.255 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.9 t -121.16 -21.4 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.689 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.8 pp -126.87 -10.79 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.99 -12.09 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.421 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.5 40.52 0.93 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 5.3 tt0 64.89 61.35 0.79 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.494 -0.353 . . . . 0.0 111.389 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.78 -59.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.8 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -29.65 69.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 20' ' ' GLU . 4.3 m -60.62 -18.87 55.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.591 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.82 -58.66 7.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -55.3 -35.32 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.101 0.477 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.53 -60.76 2.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 16' ' ' THR . 13.9 mt-10 -56.28 -21.27 22.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -58.04 3.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.822 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -31.0 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -35.87 62.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 5.1 m -61.98 -35.66 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -39.01 66.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.984 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -96.94 -16.26 20.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.798 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 2.8 tm-20 -67.94 -27.72 66.86 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.408 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -65.85 -45.7 81.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.612 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.08 79.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -76.19 -19.25 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.393 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 28' ' ' SER . 86.0 m -62.78 -41.11 99.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.791 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -20.1 34.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.977 0.418 . . . . 0.0 110.562 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 42' ' ' LEU . . . -85.57 -29.49 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.198 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.08 -27.41 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.862 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.01 -47.31 21.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.309 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.85 -30.66 59.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE1' HD22 ' A' ' 36' ' ' LEU . 69.6 m-85 -146.9 0.95 0.76 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.07 0.766 . . . . 0.0 113.07 -178.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 3.1 tt0 73.01 30.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER 52.47 21.49 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.393 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -61.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 111.526 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -21.4 19.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.544 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -74.86 -62.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.594 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 50.0 Cg_exo -33.06 -71.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.304 2.67 . . . . 0.0 113.376 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 178.18 76.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.12 -68.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 5.8 t70 -75.52 -24.2 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -77.68 -52.62 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -33.8 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -86.46 -17.02 35.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.73 179.359 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -154.3 91.6 1.44 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -146.32 -57.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.728 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.97 -30.2 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.8 t80 -87.97 -54.97 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.36 30.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 ttpm? -151.35 -46.08 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 -8.87 59.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 90.9 m -117.15 -33.89 4.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.05 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.12 -54.38 2.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.558 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -65.48 -8.88 21.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 mmm -87.71 -51.44 5.87 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.798 0.333 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -86.52 -23.92 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.265 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -85.65 -8.8 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.692 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -71.18 -31.89 68.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.918 0.389 . . . . 0.0 110.738 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -22.15 27.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.939 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.59 -19.1 30.65 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.88 -14.59 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -63.07 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.08 -25.23 61.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.21 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -24.79 21.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.364 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.31 11.09 37.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.189 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 75' ' ' LEU . 98.7 t -107.13 -40.51 5.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.308 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -93.72 -19.47 21.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 36.3 t -77.63 -18.63 56.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.722 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.65 -18.4 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 HG13 ' A' ' 71' ' ' VAL . 10.3 mt -115.34 -15.21 11.59 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 7.4 mmtt -106.73 -11.59 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.389 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.41 1.04 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.241 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 17.3 tt0 64.6 57.11 1.13 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.707 0.289 . . . . 0.0 110.988 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HB3' HD12 ' A' ' 72' ' ' LEU . 3.8 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.95 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.921 0.391 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -58.71 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.675 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -55.26 -49.37 72.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 21' ' ' SER . 10.4 tt0 -66.75 -19.44 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.79 -36.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.402 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -66.22 -62.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.385 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.23 -20.71 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.12 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.07 -56.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -38.78 90.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.141 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -35.3 80.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.23 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 28.4 m -64.45 -34.27 77.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.374 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -37.73 50.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.262 0.553 . . . . 0.0 109.815 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -98.52 -21.36 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.46 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 4.1 tp10 -72.93 -34.52 66.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.383 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -64.62 -38.39 90.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.85 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.05 -25.24 40.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.15 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.8 m -63.53 -38.24 90.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.538 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.96 -21.0 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.19 -33.17 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 4.1 tt0 -75.92 -28.45 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.37 0.605 . . . . 0.0 110.84 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.71 -47.7 16.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.046 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -29.7 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.759 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.89 7.57 0.23 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 67.98 34.72 4.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 4.6 mttm 58.52 18.08 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.45 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.43 ' C ' ' HD2' ' A' ' 43' ' ' PRO . 55.8 m -90.99 -8.1 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -21.17 64.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.026 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.26 -53.07 0.69 Allowed Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.446 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 10.3 Cg_exo -71.93 -6.34 18.91 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.524 2.149 . . . . 0.0 112.699 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 47' ' ' GLU . . . -117.49 47.53 1.51 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.11 -39.23 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.445 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.57 -24.98 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 14.5 mt-10 -84.58 -43.7 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -41.5 66.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 109.954 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD12 ' HE ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -84.19 -20.54 32.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.608 179.245 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HE ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.12 68.49 1.2 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.861 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.2 m-20 -144.45 -48.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.9 -36.83 28.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.44 -55.92 6.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.209 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 p -82.94 16.48 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.296 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 22.7 tptp -116.31 -26.68 7.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.903 0.382 . . . . 0.0 110.429 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.3 p -108.3 -19.54 13.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.6 m -105.74 -16.54 14.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.185 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.77 -37.96 3.35 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.771 0.319 . . . . 0.0 111.332 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.47 5.47 31.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.8 mtt -125.84 -42.24 1.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -27.0 53.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -85.68 4.53 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.383 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -30.46 62.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.966 0.412 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -52.93 -25.34 11.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.42 -22.08 32.86 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.707 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mm -92.6 -12.49 8.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -56.25 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.436 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.34 -25.92 63.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.169 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -57.81 -32.63 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.43 6.13 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HD12 ' A' ' 75' ' ' LEU . 83.5 t -93.12 -40.94 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.27 -25.07 18.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 10.8 t -76.84 -15.28 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.984 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 74' ' ' VAL . 23.2 t -125.18 -16.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HG13 ' A' ' 71' ' ' VAL . 4.7 mt -122.99 -7.78 8.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.493 0.924 . . . . 0.0 113.493 -178.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 4.9 mptt -114.59 -10.51 12.51 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.962 -0.461 . . . . 0.0 111.464 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 112.71 51.36 0.53 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 pt-20 51.87 58.26 5.65 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.821 0.343 . . . . 0.0 111.781 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' N ' ' HA ' ' A' ' 73' ' ' SER . 6.2 tt0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.35 -46.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -43.18 97.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -54.66 -24.24 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 21' ' ' SER . 2.0 mt-30 -63.25 -49.0 75.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.604 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.95 -34.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -64.64 -61.61 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.423 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.29 -21.58 59.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.31 -56.22 4.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.863 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -32.17 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.509 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -71.15 -39.83 71.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 73.8 m -64.43 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -35.52 68.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -99.89 -17.89 17.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.837 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 6.3 tt0 -69.67 -38.8 77.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -39.84 94.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.89 78.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -23.87 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.172 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.0 m -75.92 -56.45 4.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.328 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -23.24 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.32 -23.28 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.866 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 mt-30 -84.01 -37.48 22.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -56.48 -56.02 26.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.978 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -27.99 68.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.996 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.28 -4.16 39.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.8 mm-40 -139.55 -64.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.758 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 35' ' ' ASN . 28.0 mmtt -53.92 -42.83 69.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -85.38 -35.69 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -66.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.428 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.01 161.23 71.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.208 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.44 64.13 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.979 2.453 . . . . 0.0 112.703 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.55 27.98 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.559 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 t -75.48 -28.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -38.84 92.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.64 -48.49 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -50.58 -33.72 23.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.093 0.473 . . . . 0.0 110.249 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.12 -22.81 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.46 8.4 44.69 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.611 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -82.76 -48.72 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.624 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -34.34 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.093 0.473 . . . . 0.0 110.741 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.49 -54.6 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.3 21.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.422 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 tmtm? -133.92 -35.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -98.1 -17.14 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 m -111.72 -23.78 10.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.29 -43.29 4.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.65 0.262 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.55 1.65 32.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 64' ' ' THR . 97.6 mmm -119.55 -36.79 3.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 t -83.33 -14.49 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -67.75 -39.34 84.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -31.41 53.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.32 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' MET . 72.3 p -53.66 -24.69 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 109.928 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -23.27 63.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.586 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.3 mp -103.16 -13.99 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -49.06 44.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -24.23 48.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -58.26 -27.96 64.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.294 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.6 pt20 -93.81 1.25 56.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.502 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.805 HG12 ' CD1' ' A' ' 75' ' ' LEU . 89.6 t -98.3 -70.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.601 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -51.34 -28.21 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.122 0.487 . . . . 0.0 110.284 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 1.5 m -70.75 -29.12 65.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.853 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.3 t -101.97 -20.39 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.805 ' CD1' HG12 ' A' ' 71' ' ' VAL . 85.3 mt -68.14 -47.7 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.75 -68.01 0.55 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.37 0.605 . . . . 0.0 111.238 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.15 50.81 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.92 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' N ' ' HA ' ' A' ' 73' ' ' SER . 11.5 tt0 79.72 56.95 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.198 0.523 . . . . 0.0 110.26 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.857 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 16' ' ' THR . 33.9 p . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.966 0.412 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -91.72 -33.83 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.66 -41.27 97.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.358 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 13' ' ' THR . 5.2 t -48.57 -27.58 2.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.595 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -57.12 -39.12 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.5 -35.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.5 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -61.32 -60.26 4.0 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.1 -20.37 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.04 3.51 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.825 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.332 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.4 m -65.09 -33.96 77.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -37.42 69.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.307 0.575 . . . . 0.0 109.738 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.23 -20.25 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.522 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.35 -39.55 89.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -38.11 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.366 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.89 81.23 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -26.93 51.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.339 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -67.07 -43.99 81.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.92 18.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.266 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.83 -35.07 38.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.28 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -45.81 54.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.01 -48.1 70.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.272 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -51.6 -35.96 43.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.272 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -78.19 -46.32 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 169.11 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.51 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.63 -5.07 2.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' ' 43' ' ' PRO . 9.4 m -129.71 -12.41 4.31 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -75.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.652 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.4 pp -125.48 44.48 1.15 Allowed Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 60.7 Cg_endo -75.88 -90.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 121.99 1.793 . . . . 0.0 112.276 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -156.55 33.25 0.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG12 HD12 ' A' ' 49' ' ' LEU . 23.4 t -128.92 -41.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.304 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -46.84 69.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.53 -46.1 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.744 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -28.02 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.411 HD12 HG12 ' A' ' 45' ' ' VAL . 12.2 mt -97.83 -23.42 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.77 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 ttp85 -112.89 30.98 6.73 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.31 -48.74 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.408 . . . . 0.0 110.72 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -51.88 -25.51 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.86 -57.35 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 m -90.94 32.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.035 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.15 -43.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 26.8 m -91.2 -2.86 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.638 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -123.55 -37.26 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.57 -51.63 4.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.73 -10.16 50.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -38.55 18.39 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.091 0.472 . . . . 0.0 110.268 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -27.98 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.63 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -72.52 -21.48 61.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -30.63 69.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 110.415 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.1 p -54.16 -25.22 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.714 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.23 -20.28 30.67 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.732 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.2 mm -93.27 -13.89 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -51.64 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.46 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.75 -26.05 21.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.295 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -93.46 6.55 47.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.246 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.621 HG13 HD12 ' A' ' 75' ' ' LEU . 58.8 t -98.85 -43.59 11.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -89.48 -23.81 21.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.223 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 45.1 t -72.1 -19.17 61.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -123.09 -19.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 71' ' ' VAL . 11.5 mt -114.52 -15.01 12.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 8.0 mmtm -106.59 -12.56 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.283 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.02 43.54 1.0 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 66.4 54.77 0.88 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.723 0.297 . . . . 0.0 110.792 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.825 ' C ' HD12 ' A' ' 72' ' ' LEU . 58.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 2.0 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -76.66 -39.23 52.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -95.52 -50.69 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -29.13 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.688 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -66.66 -24.87 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.218 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.93 -36.63 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.485 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.94 -61.24 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.26 -20.52 18.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.28 -57.65 3.67 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.076 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.55 -33.92 75.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -68.25 -34.98 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.787 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -65.31 -34.1 77.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -40.36 66.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.196 0.522 . . . . 0.0 109.827 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -92.44 -20.31 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.504 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.42 -36.41 65.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.764 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.58 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -21.76 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.298 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -75.75 -48.68 20.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.2 51.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.05 -27.65 21.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.625 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -35.59 40.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -54.13 -59.38 4.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.504 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -27.8 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.401 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -91.36 -2.59 57.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.237 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.838 ' O ' HD12 ' A' ' 42' ' ' LEU . 58.6 mm-40 -149.67 -58.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ASN . 25.2 mmtp -55.41 -46.23 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.246 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 m -80.28 -32.83 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -28.5 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.838 HD12 ' O ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -124.25 127.96 25.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.29 87.12 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.428 2.085 . . . . 0.0 112.656 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.96 41.55 27.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.465 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 32.9 t -98.08 -17.55 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.406 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -41.34 61.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.723 0.297 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.73 -47.06 82.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -49.67 -32.43 13.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.0 109.996 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.11 -30.47 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.205 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -100.97 28.18 5.46 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -39.51 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.1 pp -51.97 -37.45 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.965 0.412 . . . . 0.0 110.784 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.8 t80 -59.66 -56.49 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.751 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 27.0 t -86.22 17.36 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.79 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.2 mtpp -116.72 -30.87 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.901 0.382 . . . . 0.0 110.471 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -106.3 -24.88 12.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.396 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 m -99.88 -25.76 14.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -96.0 -38.27 10.3 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -62.7 -18.3 62.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.766 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -103.07 -34.11 9.01 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.053 0.454 . . . . 0.0 110.865 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 60' ' ' MET . 12.0 t -79.56 -33.89 41.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -72.21 -27.05 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -31.13 66.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -54.39 -24.12 18.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.921 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.5 29.46 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.608 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mm -89.58 -13.02 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.952 0.406 . . . . 0.0 110.991 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -48.3 79.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -53.32 -28.32 27.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.68 10.83 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.698 ' CG1' HD21 ' A' ' 75' ' ' LEU . 83.8 t -104.26 -58.39 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.032 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -73.32 -28.58 62.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.251 0.548 . . . . 0.0 109.545 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 25.7 t -69.36 -13.28 62.29 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.977 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 t -122.73 -22.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.698 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.9 pp -125.45 -4.14 7.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -112.84 -10.67 13.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.555 0.616 . . . . 0.0 111.527 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 114.74 50.54 0.48 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.3 pt-20 52.3 58.23 5.63 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.471 -0.364 . . . . 0.0 111.71 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.9 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.72 0.295 . . . . 0.0 111.419 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' A' ' 13' ' ' THR . 84.4 t80 67.46 -17.01 0.15 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.159 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -82.59 -47.77 11.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.972 0.415 . . . . 0.0 110.327 179.416 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -64.36 -26.36 68.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.7 mm-40 -65.26 -34.07 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 22' ' ' LEU . 22.4 t -68.71 -39.75 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.24 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.4 -18.55 28.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.526 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.07 -58.04 3.47 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 18' ' ' VAL . 1.7 mt -64.86 -33.67 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.148 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 38.5 t -72.09 -40.99 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.426 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.2 m -60.1 -34.2 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.726 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.8 61.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.145 0.497 . . . . 0.0 109.961 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -101.31 -16.33 16.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.776 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.7 tt0 -74.36 -35.83 63.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -65.29 -41.41 94.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.179 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.1 79.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -77.69 -27.02 50.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.151 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 m -63.49 -44.16 95.18 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.94 36.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.079 0.466 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -35.28 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.497 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.57 -49.39 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.091 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -49.01 68.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.365 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -34.79 71.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.38 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.13 -76.27 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.45 39.33 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.93 -42.16 8.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.986 0.422 . . . . 0.0 110.732 -179.398 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 m -104.23 -26.77 12.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.122 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.2 160.33 0.23 Allowed 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.42 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD23 ' HB ' ' A' ' 45' ' ' VAL . 3.9 mp 50.73 86.0 0.17 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -40.91 89.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.133 2.555 . . . . 0.0 113.374 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.17 25.87 1.31 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.924 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' HB ' HD23 ' A' ' 42' ' ' LEU . 12.3 t -76.85 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.25 7.39 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.626 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.719 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -103.82 -56.64 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.198 0.523 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -21.43 65.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.646 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -104.39 -13.27 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.281 179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.31 77.87 0.23 Allowed 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.588 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.719 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 5.6 m-20 175.41 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp -47.55 -29.69 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.83 -53.64 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.848 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.72 18.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -131.49 -31.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 178.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -100.83 -20.1 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.292 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 6.5 p -111.22 -16.65 13.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.659 0.266 . . . . 0.0 111.2 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -112.07 -40.59 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -88.34 6.6 36.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.671 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 mtp -148.26 -29.66 0.3 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -106.45 19.15 20.93 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.539 -179.663 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 63.3 m -136.33 -34.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.501 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -33.13 73.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.0 110.383 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.0 p -55.52 -23.04 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.746 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.46 -24.09 22.33 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.81 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 62' ' ' THR . 23.5 mm -88.3 -14.83 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-O 121.131 0.491 . . . . 0.0 110.962 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -50.15 75.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -64.02 -24.34 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.855 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.46 -23.49 39.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.74 22.31 15.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.518 ' O ' HD23 ' A' ' 75' ' ' LEU . 89.7 t -116.15 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -76.47 -34.04 58.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.947 179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.73 -13.0 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 0.0 109.893 178.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.48 -20.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.26 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 71' ' ' VAL . 1.6 pp -99.03 -43.56 6.63 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.837 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -3.31 7.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.037 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 67.23 42.44 90.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.578 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.9 mm-40 -130.55 -9.42 4.08 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.608 ' C ' HD12 ' A' ' 72' ' ' LEU . 5.2 pt-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.541 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.717 ' O ' HG22 ' A' ' 16' ' ' THR . 81.3 p . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.64 -33.03 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.441 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 13' ' ' THR . 11.8 t -70.91 -17.89 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.0 OUTLIER -67.66 -21.63 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.082 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -98.07 -37.2 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -65.34 -61.44 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.166 0.508 . . . . 0.0 110.478 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.65 -20.07 30.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.343 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.01 -58.84 3.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.51 179.556 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -33.81 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.184 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -33.98 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.8 m -63.91 -35.25 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.679 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -37.12 65.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.15 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -101.82 -14.99 17.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.101 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 5.0 tm-20 -60.92 -35.06 75.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -65.77 -41.81 91.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.026 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.18 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -78.69 -26.54 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.199 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.3 m -68.21 -51.36 46.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.74 -24.17 14.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.305 0.574 . . . . 0.0 110.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -80.25 -40.64 26.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.065 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.619 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.2 mt-30 -60.86 -32.42 71.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.474 0.654 . . . . 0.0 110.436 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -56.23 -58.62 7.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.428 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -24.98 26.29 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 15.3 m-85 -105.61 -3.53 22.17 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 14.3 mm-40 -130.73 -71.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.626 -0.43 . . . . 0.0 112.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 35' ' ' ASN . 9.5 pttt -61.7 -45.89 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.403 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.8 m -72.8 -27.08 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 111.129 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -23.33 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.176 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 ' CB ' ' A' ' 46' ' ' ASP . 1.9 mt -132.69 162.28 58.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.602 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.863 ' O ' HG23 ' A' ' 45' ' ' VAL . 60.6 Cg_endo -73.14 47.19 1.25 Allowed 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 113.164 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.72 37.39 2.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 43' ' ' PRO . 38.8 t -120.75 -29.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' CB ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -61.39 -28.49 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.281 -179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 4.2 pt-20 -77.58 -43.68 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.068 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -56.04 -35.52 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.107 0.479 . . . . 0.0 109.929 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.87 -21.08 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.917 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 7.4 mmm180 -84.41 -13.65 51.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.71 0.29 . . . . 0.0 111.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -69.54 -46.76 65.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.933 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -46.49 -31.16 2.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.002 0.43 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -76.93 -56.35 4.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' HG22 ' A' ' 57' ' ' THR . 58.6 m -77.43 10.34 2.62 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -115.07 -21.92 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.742 0.306 . . . . 0.0 110.798 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 21.5 m -111.25 8.32 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -120.34 -22.37 6.55 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.664 0.268 . . . . 0.0 111.708 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -62.09 -14.09 33.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.361 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' N ' ' A' ' 61' ' ' SER . 1.3 ptm -109.54 -35.59 6.19 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.382 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.575 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -74.41 -28.33 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.442 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -87.83 -34.56 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -32.06 49.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.459 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -53.34 -25.09 13.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.286 0.565 . . . . 0.0 110.014 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.28 -21.45 29.74 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.009 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mm -94.2 -18.22 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-O 121.045 0.45 . . . . 0.0 111.104 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -60.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.735 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -26.16 67.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.001 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.24 -27.0 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.262 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 9.47 39.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.347 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.77 HG13 HD12 ' A' ' 75' ' ' LEU . 88.6 t -103.44 -48.65 10.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -80.61 -29.3 36.86 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 109.649 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 11.2 t -67.12 -19.71 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.6 t -123.74 -19.22 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.77 HD12 HG13 ' A' ' 71' ' ' VAL . 13.7 mt -114.57 -15.46 12.0 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -106.1 -14.69 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.293 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.11 42.87 0.88 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 67.52 57.76 0.55 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.619 -0.29 . . . . 0.0 110.977 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.827 0.346 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -156.4 -56.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.93 -46.3 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 110.34 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -68.83 -29.6 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.2 OUTLIER -66.07 -15.8 63.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.61 -35.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -61.58 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.44 -19.11 33.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -80.68 -57.27 3.64 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.09 -32.23 72.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -68.82 -46.4 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.069 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 52.2 m -68.26 -30.25 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.786 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -34.87 65.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.759 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -104.71 -17.44 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -63.55 -44.6 93.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.793 0.33 . . . . 0.0 110.356 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -37.93 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.51 75.87 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -27.87 42.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.012 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.5 m -74.3 -55.91 5.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.061 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.84 -24.48 36.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.03 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -76.48 -37.23 57.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.041 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -56.56 -39.52 73.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.254 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -70.59 -52.09 23.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.555 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -23.36 66.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.285 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 3.4 m-85 -108.84 -5.03 16.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -137.64 -35.17 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 4.6 mmtt -86.14 -52.34 5.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.963 0.411 . . . . 0.0 111.244 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.7 m -86.04 -10.97 54.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -77.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.868 0.366 . . . . 0.0 111.463 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' H ' ' CD ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -109.8 -48.07 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' CD ' ' H ' ' A' ' 42' ' ' LEU . 10.9 Cg_exo -71.5 48.25 0.97 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.49 2.127 . . . . 0.0 112.937 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -170.07 21.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' A' ' 49' ' ' LEU . 79.8 t -149.21 -90.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 120.828 0.346 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.5 m-20 52.14 90.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.15 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.987 177.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -40.62 -34.33 0.36 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.21 0.528 . . . . 0.0 110.659 -179.145 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.775 ' CB ' HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -114.09 -22.16 10.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.796 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HB2' HG12 ' A' ' 45' ' ' VAL . 3.6 ttm180 -86.69 8.18 23.54 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.378 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 m-20 -102.49 -39.08 7.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -55.48 -24.98 34.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.769 0.318 . . . . 0.0 111.122 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.433 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.4 t80 -100.1 -55.48 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 111.515 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -84.65 27.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.594 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.896 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -146.03 -37.19 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.144 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -97.52 -26.75 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 26.3 m -104.26 -22.15 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.44 -38.47 7.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.394 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -84.9 4.65 32.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.364 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -128.14 -26.29 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -23.22 13.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.599 0.238 . . . . 0.0 111.192 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -89.35 -11.16 44.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.535 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -69.05 -28.87 66.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.473 179.64 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -53.73 -23.77 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.989 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.26 -22.21 57.33 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.736 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 5.2 mp -99.39 -22.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.196 0.522 . . . . 0.0 110.614 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.25 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -27.04 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.213 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -55.58 -27.05 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.076 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 15.3 tp60 -95.83 14.88 21.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.843 HG12 HD23 ' A' ' 75' ' ' LEU . 89.3 t -110.2 -56.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.036 0.446 . . . . 0.0 110.24 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -67.42 -38.97 85.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.637 179.591 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.525 ' N ' ' H ' ' A' ' 79' ' ' GLU . 1.6 p -71.69 -18.45 62.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 42.1 t -105.47 -19.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.962 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.843 HD23 HG12 ' A' ' 71' ' ' VAL . 1.4 pp -100.58 -42.08 6.69 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -3.08 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.203 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 65.06 41.08 97.36 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -115.15 -32.53 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.919 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 70.9 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.239 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.02 -48.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.93 -18.67 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.731 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -50.34 -25.09 3.45 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -45.9 -43.93 14.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.984 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 22' ' ' LEU . 23.4 t -66.28 -36.69 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.264 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.19 -59.9 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.42 -21.21 35.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.058 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.98 -56.65 4.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.607 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD11 HG12 ' A' ' 18' ' ' VAL . 2.4 mt -63.04 -34.42 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.6 m -65.33 -33.51 76.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.246 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 56.0 m -64.64 -36.63 84.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -36.58 72.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.781 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -93.84 -17.14 23.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.845 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -63.88 -42.49 97.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.41 -38.53 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.023 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -77.69 -28.04 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.908 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.8 m -68.42 -55.85 10.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.316 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.3 -23.03 45.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.02 41.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 2.5 mt-30 -74.82 -47.38 30.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.149 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -50.69 -53.07 34.23 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.303 179.632 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -33.81 75.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.915 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -95.22 -1.46 51.59 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 5.8 mt-10 -137.13 -58.07 0.71 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.355 . . . . 0.0 111.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 2.7 mmmp? -65.96 -57.23 8.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.3 m -59.95 -21.32 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -25.67 60.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.933 0.397 . . . . 0.0 110.733 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HB3' ' CD ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -118.32 170.53 6.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.373 179.623 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.657 ' HB2' HG23 ' A' ' 45' ' ' VAL . 3.5 Cg_exo -77.13 17.0 0.9 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.877 2.385 . . . . 0.0 112.687 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 63.18 24.65 14.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 43' ' ' PRO . 27.1 t -99.68 -31.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.9 -19.53 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.409 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -41.67 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -58.3 -25.73 62.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.235 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.58 -18.28 14.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 71.66 1.45 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 3.7 m-20 -139.87 -54.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.364 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -50.2 -36.55 31.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.499 179.612 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -87.15 -52.49 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 46.4 t -72.86 12.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -116.02 -16.56 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.668 178.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 m -109.01 -21.04 12.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.894 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 p -113.59 -26.08 8.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.317 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -104.72 -50.76 3.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' C ' HG22 ' A' ' 62' ' ' THR . . . -68.03 -8.88 41.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.844 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.5 mmm -104.14 -48.35 3.9 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-O 120.917 0.389 . . . . 0.0 110.463 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -73.17 -13.19 61.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.028 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.454 HG22 ' C ' ' A' ' 59' ' ' ALA . 5.3 t -65.08 -42.96 93.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.4 63.1 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.222 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -55.48 -23.06 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.254 0.549 . . . . 0.0 109.657 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.37 -23.88 32.9 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.269 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 62' ' ' THR . 27.1 mm -86.58 -11.38 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.699 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -60.91 2.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.47 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -24.28 66.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.616 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.13 -27.14 65.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -96.43 7.97 45.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.925 HG13 HD21 ' A' ' 75' ' ' LEU . 73.6 t -99.4 -69.54 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.45 -28.66 70.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.166 0.508 . . . . 0.0 109.792 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.66 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 12.0 t -72.22 -10.66 60.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.95 -23.5 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.925 HD21 HG13 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.04 -7.19 6.01 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -106.36 -12.29 15.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.539 0.609 . . . . 0.0 111.571 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.48 41.67 0.67 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.399 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 63.42 56.23 1.68 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 120.556 0.217 . . . . 0.0 111.153 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.979 0.418 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -135.11 -38.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.854 179.748 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.26 -45.87 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.949 0.404 . . . . 0.0 110.762 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -29.98 67.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.84 -5.86 45.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 14' ' ' PHE . 38.3 t -111.68 -36.62 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -66.13 -63.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.303 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.52 -22.22 54.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.29 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -56.94 4.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.716 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -63.29 -30.47 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.8 t -69.65 -34.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.5 m -64.97 -34.82 79.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.426 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -35.26 64.09 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.263 0.554 . . . . 0.0 109.971 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -102.88 -16.21 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.069 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 18.0 tt0 -61.53 -42.29 98.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -62.23 -36.67 82.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.016 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.52 82.07 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -28.97 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.933 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.8 m -67.47 -53.07 32.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.036 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.9 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.097 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -81.07 -30.38 34.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.388 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -44.32 44.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.324 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -54.41 -57.54 10.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.252 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 1.1 tp -60.15 -32.34 70.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.811 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -88.09 -2.66 58.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -149.74 -61.19 0.21 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -56.74 -44.43 81.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.711 -179.251 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 36' ' ' LEU . 47.5 m -84.04 -11.99 55.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.362 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.41 73.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.671 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -144.49 -59.78 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.78 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 24.6 Cg_exo -63.2 69.7 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.21 1.94 . . . . 0.0 112.638 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . . . -171.8 29.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.825 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.884 HG21 HD12 ' A' ' 49' ' ' LEU . 40.4 t -96.96 -49.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' H ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER 60.91 30.26 19.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.326 0.584 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HB3' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -145.57 -51.24 0.25 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.085 -178.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -121.05 -23.25 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.379 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.884 HD12 HG21 ' A' ' 45' ' ' VAL . 12.1 mt -110.22 -18.73 13.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.571 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 3.2 mmt180 -138.76 37.16 2.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.495 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -97.66 -31.82 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -40.37 39.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.32 -55.87 21.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 1.022 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 67.5 p -74.48 4.83 5.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.99 -5.11 23.76 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.64 -31.45 0.77 Allowed 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.216 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.63 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 3.3 t -178.91 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 61' ' ' SER . . . 145.4 44.74 0.0 OUTLIER 'General case' 0 C--N 1.346 0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 1.022 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -63.59 -32.78 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.238 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -92.92 -36.22 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.719 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.724 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 15.7 m -67.68 -36.95 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.7 m -58.47 -24.62 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -30.83 69.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -23.99 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.913 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.59 -20.57 28.9 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.803 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.46 -10.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 111.252 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -51.0 63.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -22.35 61.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.233 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -29.58 33.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.683 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.46 1.31 56.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.69 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.32 -64.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -55.78 -26.27 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.497 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 75.4 m -81.48 -15.36 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.7 t -112.1 -18.56 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.754 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' CD2' ' HA ' ' A' ' 72' ' ' LEU . 2.5 pp -82.76 -36.09 25.99 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.216 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.18 -78.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.232 0.539 . . . . 0.0 111.242 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -171.36 48.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' N ' ' HA ' ' A' ' 73' ' ' SER . 4.5 tt0 79.46 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.125 0.488 . . . . 0.0 110.298 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 23.9 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.874 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 121.005 0.431 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.0 -34.11 33.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.4 -56.38 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -53.7 -26.55 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.506 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.8 OUTLIER -69.75 -20.4 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.249 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 t -106.39 -34.94 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.44 -20.35 44.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.304 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.68 -58.27 3.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.687 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.14 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' GLU . 20.2 t -70.19 -39.5 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.078 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.617 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.8 m -60.48 -35.55 76.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -35.97 61.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 110.224 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -16.63 15.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.929 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.617 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 4.4 tt0 -64.83 -41.66 95.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.665 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -63.4 -36.21 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -35.85 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -28.64 34.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.011 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -69.74 -47.6 62.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.66 -22.79 37.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.097 0.475 . . . . 0.0 110.316 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.36 31.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' HA ' ' N ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -68.52 -29.53 68.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.64 -47.93 14.59 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -26.95 48.58 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -149.12 4.67 0.63 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' CA ' ' HA ' ' A' ' 34' ' ' GLN . 10.5 tt0 66.49 31.33 8.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.956 0.408 . . . . 0.0 110.263 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 17.4 mtpt 58.66 17.71 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.355 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -82.75 -14.88 53.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -37.6 85.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.526 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' H ' ' HD2' ' A' ' 43' ' ' PRO . 13.2 mt -155.2 -61.27 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.501 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HD2' ' H ' ' A' ' 42' ' ' LEU . 38.9 Cg_endo -66.46 43.64 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.738 2.292 . . . . 0.0 113.672 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 39' ' ' LYS . . . 177.11 39.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.948 0.404 . . . . 0.0 110.518 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HD23 ' A' ' 49' ' ' LEU . 30.1 t -119.52 -67.91 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.17 -38.15 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.992 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 31.4 mt-10 -76.67 -48.22 19.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -56.4 -29.86 62.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.252 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -92.93 -18.1 23.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.041 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.644 ' HD3' HD11 ' A' ' 49' ' ' LEU . 2.7 ptt180 -176.44 105.96 0.07 Allowed 'General case' 0 C--N 1.338 0.085 0 CA-C-O 121.26 0.552 . . . . 0.0 111.857 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -175.74 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.497 179.143 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -29.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.122 0.487 . . . . 0.0 110.482 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.491 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -94.66 -53.96 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.073 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 p -82.71 24.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.681 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.0 mmtp -149.95 -44.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.664 0.269 . . . . 0.0 110.673 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 -16.63 22.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.445 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 85.4 m -112.8 -16.18 12.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.176 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -42.01 3.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.39 5.64 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.1 mtp -125.46 -32.86 2.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -85.26 -31.75 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.074 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -91.56 5.31 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.47 66.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.929 0.395 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 t -54.34 -24.59 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.55 -22.05 30.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.674 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' ILE . 27.9 mm -92.58 -10.36 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -51.08 59.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.14 33.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.77 -21.52 41.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' HG ' ' A' ' 73' ' ' SER . 7.6 mt-30 -100.79 13.34 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.267 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.22 -66.85 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -68.52 -24.95 64.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.679 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 14.7 p -75.78 -16.03 60.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.262 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.28 -21.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.8 pp -119.4 -9.92 9.79 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -108.81 -6.2 15.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.368 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.84 46.41 1.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 9.9 tt0 63.76 57.82 1.34 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.611 -0.295 . . . . 0.0 110.876 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' N ' ' HA ' ' A' ' 73' ' ' SER . 34.0 tt0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.459 ' C ' ' H ' ' A' ' 15' ' ' LEU . 6.8 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 13' ' ' THR . 69.6 t80 67.77 -17.39 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 13' ' ' THR . 69.0 mt -86.25 -49.42 7.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.948 0.404 . . . . 0.0 110.441 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' SER . 13.3 tt0 -64.07 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' PHE . 36.3 t -86.69 -37.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -60.51 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.462 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.37 -19.99 17.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.39 -57.93 3.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.409 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -33.72 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.708 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.8 m -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -35.93 64.75 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.209 0.528 . . . . 0.0 109.92 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -103.5 -15.56 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.89 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 33.8 tt0 -61.72 -37.46 84.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.676 0.274 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -62.99 -41.89 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.279 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.17 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -83.51 -22.98 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -65.87 -44.3 85.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.25 46.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.137 0.494 . . . . 0.0 110.281 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.99 -28.25 25.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.352 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -67.64 -36.15 80.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.17 -60.54 3.2 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.49 -28.53 67.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.171 0.51 . . . . 0.0 110.079 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -81.38 5.36 17.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.093 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 3.4 pt-20 58.47 34.74 24.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.147 0.499 . . . . 0.0 110.883 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -108.09 -33.02 7.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.425 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -110.51 -19.97 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -31.22 54.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD23 ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -91.77 134.08 29.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 56.4 5.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.366 2.044 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.4 34.86 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.402 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.566 ' CG2' HD23 ' A' ' 42' ' ' LEU . 43.9 t -56.15 -24.3 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.215 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -66.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.7 -41.77 87.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -50.88 -34.75 29.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 0.0 110.29 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.18 -21.5 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.866 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.55 18.28 15.79 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.681 0.277 . . . . 0.0 111.218 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -101.87 -44.02 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -44.28 71.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.515 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -53.06 36.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.87 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.49 ' HB2' ' N ' ' A' ' 61' ' ' SER . 89.8 p -72.35 7.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.003 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -133.96 -9.86 2.68 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.054 178.198 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 t -51.44 -32.64 27.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 22.6 m -145.89 -5.46 0.62 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.252 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 72.46 41.78 0.57 Allowed 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.0 -30.3 12.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.646 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 8.2 mmm -106.79 -0.01 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.611 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' THR . 39.0 t -102.43 -34.22 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.744 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 m -60.04 -38.8 83.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -30.68 42.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.56 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.933 HG22 ' O ' ' A' ' 61' ' ' SER . 1.5 t -52.88 -24.73 9.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.233 0.54 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.97 -24.23 72.43 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.482 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 66' ' ' ILE . 5.0 mp -102.02 -20.23 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -47.0 76.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.286 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.418 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.07 -25.81 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.53 -26.92 34.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -88.39 4.26 46.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.79 HG13 HD12 ' A' ' 75' ' ' LEU . 67.1 t -98.48 -44.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.88 -24.35 35.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.269 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.7 m -68.07 -20.46 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.029 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.38 -19.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.79 HD12 HG13 ' A' ' 71' ' ' VAL . 18.6 mt -112.23 -15.74 13.13 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 22.6 mttp -106.67 -15.24 14.81 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.113 -0.367 . . . . 0.0 111.406 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.38 42.9 0.79 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 2.5 tt0 67.69 57.25 0.54 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.641 -0.28 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mt-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.826 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' LEU . 22.2 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.641 0.258 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' THR . 82.8 t80 67.14 -17.47 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' THR . 40.8 mt -98.4 -42.83 7.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -66.37 -31.06 71.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.99 -36.75 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -60.62 2.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.152 0.501 . . . . 0.0 110.291 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -20.77 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -57.15 4.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.792 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -68.03 -30.79 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.226 179.447 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.98 59.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.903 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 18.7 p -73.51 -31.64 63.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.51 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -38.57 73.53 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.268 0.556 . . . . 0.0 109.664 179.389 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -96.31 -17.19 20.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.875 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 19.0 tt0 -57.84 -39.99 79.03 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.729 0.3 . . . . 0.0 110.746 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -63.45 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.185 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.02 82.39 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -75.25 -28.09 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.821 178.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 58.7 m -73.01 -60.08 2.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.163 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.42 45.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.153 0.501 . . . . 0.0 109.916 179.05 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -73.17 -33.94 65.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.691 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 tp-100 -51.32 -40.02 58.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.816 179.6 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.48 -54.13 50.46 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.153 0.502 . . . . 0.0 111.138 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -21.56 53.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.975 -179.127 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 1.1 m-85 -99.42 -7.05 26.67 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.705 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 8.7 mt-10 -158.13 -18.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 65.69 12.74 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.219 . . . . 0.0 111.319 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 38' ' ' GLU . 1.5 m -73.26 -34.7 65.97 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.18 0.514 . . . . 0.0 109.988 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CZ ' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER -56.34 -19.9 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.306 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD22 ' HD2' ' A' ' 43' ' ' PRO . 9.9 mt -67.26 169.18 9.17 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.378 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD2' HD22 ' A' ' 42' ' ' LEU . 89.8 Cg_endo -78.73 47.54 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.531 2.154 . . . . 0.0 113.063 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.64 55.25 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 111.579 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.1 t -69.66 -42.84 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.15 -33.9 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 3.4 mp0 -81.12 -46.74 14.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.588 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -54.52 -24.77 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.9 -17.8 14.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.056 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -161.07 96.36 1.09 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.315 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -161.81 -50.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.493 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -49.59 -36.0 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.032 0.444 . . . . 0.0 110.738 179.72 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -64.04 -57.08 10.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.45 14.78 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.865 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.9 ttpp -112.1 -12.82 13.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.049 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.9 p -118.35 -10.99 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.138 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -111.75 -8.87 14.13 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.585 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -139.51 -49.33 0.49 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.306 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -58.59 -14.14 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.33 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.4 ptm -126.78 -41.18 1.85 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -42.49 53.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.591 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 39.2 m -71.92 -8.53 54.93 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -31.42 69.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.985 0.422 . . . . 0.0 110.361 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -56.03 -23.61 34.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.872 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.91 -20.21 29.12 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.811 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 66' ' ' ILE . 41.0 mm -93.86 -8.84 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.79 71.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -28.77 16.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.411 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -56.1 -24.04 37.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.1 pt20 -89.17 1.51 55.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.577 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.765 HG12 ' CD1' ' A' ' 75' ' ' LEU . 88.4 t -100.77 -71.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.467 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.71 -26.98 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.359 179.223 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 19.4 m -71.78 -30.06 65.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.718 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 14.6 t -101.06 -20.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.171 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.765 ' CD1' HG12 ' A' ' 71' ' ' VAL . 83.6 mt -68.14 -46.14 71.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.648 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.0 -67.58 0.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.348 0.594 . . . . 0.0 111.328 -178.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.77 51.88 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.909 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.537 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.0 tt0 77.23 56.85 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.089 0.471 . . . . 0.0 110.191 -179.202 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 5.5 tm-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.911 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -78.28 -59.84 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.529 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.49 -40.89 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -67.39 -16.68 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.535 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -38.75 74.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.54 -35.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.722 179.529 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -60.56 3.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.262 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.18 -19.98 37.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.355 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -58.13 3.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.636 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.85 -31.76 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -71.81 -38.53 70.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.1 p -66.99 -31.86 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -36.15 60.46 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.274 0.559 . . . . 0.0 109.918 179.194 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -21.54 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.817 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 11.9 tt0 -66.08 -38.14 87.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -63.48 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.15 80.91 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.797 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -81.07 -24.97 37.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.382 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.48 -43.19 77.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -21.99 21.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.45 -31.66 24.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.538 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -35.27 24.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.17 -48.34 78.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.05 -36.6 63.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.5 -0.27 56.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.159 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.04 31.94 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.169 0.509 . . . . 0.0 110.209 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.0 mttm 54.7 19.13 2.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.032 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -79.45 -13.22 59.73 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.63 -32.09 27.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.64 130.68 44.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.173 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.85 48.2 2.39 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.401 2.067 . . . . 0.0 112.84 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.63 16.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 48' ' ' LYS . 3.6 t -121.21 -66.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.317 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' CB ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 62.26 89.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.051 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 mt-10 50.52 26.99 2.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.437 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 50.23 29.75 3.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.594 0.712 . . . . 0.0 109.373 -178.502 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -119.34 -42.55 2.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.273 -179.086 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.9 ttt180 -83.48 -5.67 59.23 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.283 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' OD2' HG13 ' A' ' 45' ' ' VAL . 6.3 t0 -63.03 -54.99 29.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.59 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.77 -32.66 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.713 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.778 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -65.46 -57.3 8.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.611 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 17.31 8.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.76 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -13.39 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -112.25 -26.51 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 53' ' ' TYR . 13.6 t -105.68 4.98 30.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.764 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.65 -49.25 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.43 -11.45 33.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.488 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ptm -129.26 -41.82 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.749 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.82 -44.07 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.619 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.5 m -84.3 -17.89 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.498 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -30.93 67.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.903 0.383 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -25.27 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.322 0.582 . . . . 0.0 109.89 179.275 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.33 -20.42 30.0 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 66' ' ' ILE . 44.7 mm -93.23 -12.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.9 0.381 . . . . 0.0 110.98 179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -47.32 82.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -21.32 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -27.83 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.42 5.3 48.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 75' ' ' LEU . 57.9 t -101.4 -64.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -56.33 -27.79 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.063 0.459 . . . . 0.0 109.899 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.4 t -74.11 -9.37 58.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.114 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.73 -22.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -133.02 -5.82 3.09 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -178.336 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.829 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -106.79 -12.18 15.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.971 0.805 . . . . 0.0 111.735 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.76 0.56 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.705 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.656 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.5 OUTLIER 62.3 59.13 1.63 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.479 0.181 . . . . 0.0 111.433 179.758 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.2 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.217 -0.896 . . . . 0.0 111.03 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.565 ' HB ' HG22 ' A' ' 16' ' ' THR . 2.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.29 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.759 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.34 -42.1 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.565 HG22 ' HB ' ' A' ' 13' ' ' THR . 9.9 t -55.18 -26.65 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.4 tt0 -65.73 -45.97 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.497 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.4 -35.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.185 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.33 -19.69 56.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.247 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.01 -56.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.835 179.833 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.09 89.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.304 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -65.27 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.633 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 43.4 m -64.28 -35.05 79.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.428 179.536 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -40.64 61.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.18 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -97.16 -16.55 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.155 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 21.1 mt-10 -51.44 -41.63 60.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.334 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -62.14 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.54 75.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 -24.56 35.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.063 178.786 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -67.15 -48.78 67.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.88 35.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.92 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.553 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.89 -35.84 74.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -53.08 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -31.59 68.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.807 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.93 -1.1 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 69.87 32.75 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mttp 52.25 22.55 2.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 m -80.2 -17.61 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -31.24 50.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -103.88 157.36 34.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 179.775 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.861 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.1 Cg_endo -82.48 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.141 2.561 . . . . 0.0 112.934 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.42 26.23 3.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 111.252 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 43' ' ' PRO . 28.5 t -128.94 -34.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.83 -41.21 61.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.091 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 56.4 mt-10 -77.17 -47.03 21.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.57 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -35.75 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 109.965 179.237 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -91.6 -16.01 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.251 179.801 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 87.26 1.71 Allowed 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 111.502 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 179.16 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 179.453 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.08 -34.53 22.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.46 . . . . 0.0 110.493 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' O ' ' HB ' ' A' ' 57' ' ' THR . 2.2 t80 -92.26 -53.43 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.692 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -81.76 27.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.614 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 8.9 ttmm -163.44 -53.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.21 10.11 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 39.6 m -133.51 -32.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 110.877 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.63 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.82 -12.37 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.713 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -98.43 -33.75 10.91 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.0 0.429 . . . . 0.0 110.568 179.546 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.69 -30.1 32.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 179.674 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -73.09 -6.88 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -31.32 68.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.622 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -24.54 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.757 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -22.42 31.69 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.449 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.9 -12.45 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.766 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.487 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -64.77 -46.23 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.252 179.906 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.438 ' HA ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -61.14 -21.45 63.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.97 -179.286 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -29.68 46.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 67' ' ' PHE . 5.3 pp0? -95.14 6.28 49.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.661 0.267 . . . . 0.0 111.517 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.638 HG13 HD12 ' A' ' 75' ' ' LEU . 57.6 t -93.2 -41.02 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -92.79 -19.07 22.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 30.2 t -78.15 -15.56 58.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 178.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.95 -16.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.947 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.638 HD12 HG13 ' A' ' 71' ' ' VAL . 7.5 mt -118.12 -14.86 9.9 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 2.5 mttt -106.89 -10.87 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.13 -0.356 . . . . 0.0 111.249 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.97 43.96 0.91 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.26 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 61.85 58.31 1.97 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.292 . . . . 0.0 111.591 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.801 ' CB ' HD12 ' A' ' 72' ' ' LEU . 7.6 mm-40 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.704 179.15 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 14.6 p . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.838 0.351 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -82.28 -46.23 13.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.21 -61.5 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.454 -179.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 m -48.45 -29.05 3.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.683 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' THR . 31.4 tt0 -60.15 -61.0 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.637 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.81 -34.71 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.69 -60.44 3.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.38 -20.29 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.165 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.52 -56.97 3.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -68.3 -39.65 81.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.627 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 70.5 m -66.48 -32.19 73.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -38.29 68.32 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.26 0.552 . . . . 0.0 110.006 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -100.49 -15.85 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.775 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 12.2 tp10 -62.62 -37.14 85.1 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -64.6 -42.08 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.17 81.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -24.99 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.945 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -72.62 -60.59 2.16 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.264 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.22 66.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.858 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -76.61 -40.29 49.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.87 178.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -55.57 -33.27 63.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.751 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' HA ' ' HG3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -53.25 -68.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.693 -179.67 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -26.63 66.16 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.946 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 5.5 m-85 -91.15 -5.2 55.37 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.507 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' GLN . 27.9 mt-10 -148.28 -60.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' HG3' ' HA ' ' A' ' 35' ' ' ASN . 2.3 mmpt? -50.45 -32.6 18.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 111.333 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.853 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 53.5 m -99.3 -13.63 19.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -36.29 63.71 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 4.7 mt -131.0 -69.63 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.58 -179.557 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 58.8 Cg_endo -70.96 57.87 2.07 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.105 1.87 . . . . 0.0 112.323 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.853 ' HB2' ' HA ' ' A' ' 40' ' ' THR . . . -124.43 5.57 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 t -51.35 -26.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 1.2 m-20 -61.44 -27.64 68.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.24 -46.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -54.14 -46.74 72.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.046 0.45 . . . . 0.0 109.938 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.4 pp -77.07 -17.99 58.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.651 179.148 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -100.11 13.07 35.37 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.16 179.675 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -42.41 14.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.449 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.89 -39.02 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.91 -58.13 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 60' ' ' MET . 0.0 OUTLIER -80.24 17.59 1.01 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.086 -179.707 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 -19.0 7.28 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.61 178.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -33.85 1.79 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.557 0.694 . . . . 0.0 109.43 178.022 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.0 t 179.55 29.9 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.152 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 76.97 42.08 0.15 Allowed 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.521 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.08 86.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.26 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.428 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.5 mmt -131.38 -1.6 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.552 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.7 p -83.44 -17.68 41.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.606 0.241 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 t -54.82 -45.82 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -32.77 71.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -55.58 -23.18 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.284 0.564 . . . . 0.0 109.878 179.182 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.66 -21.09 29.79 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 178.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 66' ' ' ILE . 36.7 mm -90.03 -12.63 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -48.13 36.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -19.35 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.62 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -25.68 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.632 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -99.38 15.52 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.831 HG12 HD23 ' A' ' 75' ' ' LEU . 96.2 t -112.86 -53.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -72.18 -36.73 69.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.323 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.416 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -75.29 -9.38 58.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.584 178.606 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.02 -18.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 HG12 ' A' ' 71' ' ' VAL . 1.9 pp -102.26 -38.01 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.014 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' A' ' 78' ' ' GLU . 3.1 tttp -108.59 -8.01 15.57 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.439 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.22 34.4 89.86 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.86 -27.99 0.48 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.848 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.542 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 3.6 tm-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.622 -179.186 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -74.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.63 -47.94 79.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.7 m -58.4 -31.45 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.2 mt-30 -74.2 -7.55 53.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.12 -35.79 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.399 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -65.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.809 179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.5 -21.32 59.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.057 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -72.38 -56.06 6.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.357 179.393 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.03 -38.09 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.023 179.377 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.54 -34.99 76.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.206 179.387 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.1 m -61.09 -36.43 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -38.12 62.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.325 0.583 . . . . 0.0 109.862 179.379 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -99.47 -16.67 18.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.856 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 6.5 tt0 -67.51 -40.44 85.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.723 0.296 . . . . 0.0 111.022 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 -39.86 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.135 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.96 80.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.18 -27.87 57.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.835 178.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.8 m -73.31 -60.27 2.32 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.85 41.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -77.78 -43.13 31.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -63.37 -37.08 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.657 179.67 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.554 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.7 t30 -60.4 -54.59 43.81 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.588 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -29.36 46.57 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.48 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 22.4 m-85 -103.82 -1.07 28.4 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -177.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.682 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 69.8 mm-40 -135.37 -68.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -61.53 -22.44 65.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.528 -179.112 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.543 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 81.3 m -98.93 -12.59 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.619 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -76.97 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.679 0.276 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 6.3 tp -96.26 -65.3 0.1 OUTLIER Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.293 -179.527 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 45.3 Cg_endo -68.9 61.35 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.165 1.91 . . . . 0.0 112.361 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' HB2' ' HA ' ' A' ' 40' ' ' THR . . . -138.14 13.62 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.913 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -133.93 -51.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.82 -39.01 93.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -55.21 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -29.72 12.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.7 -19.29 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 0.47 44.61 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.355 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -71.66 -51.63 22.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.806 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.74 -31.14 4.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 57' ' ' THR . 2.4 t80 -63.56 -57.47 10.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.63 17.28 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.598 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -114.5 -29.62 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.375 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.3 p -109.4 10.08 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 53' ' ' TYR . 16.5 p -130.54 -22.28 2.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.281 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.47 -44.47 2.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.79 -12.78 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.338 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -111.77 -35.36 5.76 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.006 0.432 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -68.59 -23.18 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.954 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -79.74 -37.49 35.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -31.42 63.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -25.65 15.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.357 0.598 . . . . 0.0 109.808 179.426 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.73 -24.04 34.12 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.627 178.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -92.81 -13.04 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -47.05 85.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -53.27 -25.17 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.166 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -55.99 -27.88 54.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.9 0.381 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.57 13.29 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 75' ' ' LEU . 98.4 t -100.87 -68.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.35 -28.66 70.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 179.35 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.629 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 t -70.07 -12.51 61.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.117 179.162 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.91 -21.32 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD21 HG13 ' A' ' 71' ' ' VAL . 3.5 pp -127.4 -9.06 5.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.529 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -103.22 -16.59 15.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.539 0.609 . . . . 0.0 111.292 179.645 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.79 40.47 0.52 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER 63.68 59.78 1.14 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.665 -0.267 . . . . 0.0 111.416 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.901 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.025 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.777 0.322 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.2 t -58.91 -28.67 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.62 -36.16 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -64.47 -61.0 2.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.515 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.11 -21.13 20.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -57.29 3.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.35 -35.24 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -36.62 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.792 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -60.33 -36.97 79.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -38.84 65.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.251 0.548 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -97.24 -15.89 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.194 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 8.0 mt-10 -53.29 -42.56 66.71 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.94 92.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.87 83.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.493 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.07 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -72.52 -59.59 2.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.429 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -27.05 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.07 -25.57 40.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.64 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.228 -0.05 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 37.58 -74.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.481 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.5 -33.9 0.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.276 0.56 . . . . 0.0 110.439 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.9 mt -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.257 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -96.77 35.73 1.49 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.206 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -130.07 -39.03 1.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.05 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.2 pp -56.21 -38.15 70.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.697 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t80 -83.03 -55.1 4.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.481 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' A' ' 60' ' ' MET . 0.5 OUTLIER -76.6 19.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.83 -18.88 2.67 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.872 178.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -45.89 -34.16 3.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.674 0.749 . . . . 0.0 109.166 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.7 t 178.51 32.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.71 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 75.45 42.9 0.21 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 53' ' ' TYR . . . -61.31 -33.09 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.585 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.445 ' H ' ' HA ' ' A' ' 54' ' ' SER . 16.8 mtt -135.66 -0.03 2.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.692 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -79.96 -56.59 4.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.7 m -95.0 -14.59 24.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.011 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.49 65.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.47 -24.92 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.338 0.589 . . . . 0.0 110.012 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.16 -20.39 28.02 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.853 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -94.29 -12.41 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.619 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -64.13 -54.59 31.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -32.69 69.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -57.48 -30.65 65.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 74' ' ' VAL . 1.1 tp60 -94.9 12.07 29.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 75' ' ' LEU . 99.2 t -106.24 -57.91 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.696 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.782 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.78 -37.13 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 -9.14 58.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.269 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.437 HG21 ' HG3' ' A' ' 70' ' ' GLN . 60.3 t -116.83 -18.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' VAL . 1.8 pp -98.26 -37.99 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.088 0.47 . . . . 0.0 109.948 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -115.49 -7.31 12.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.346 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.16 35.9 92.56 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -137.72 -29.8 0.84 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.782 ' C ' HD12 ' A' ' 72' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.537 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.817 0.341 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.19 -28.55 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -66.56 -27.44 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.32 -37.36 17.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.18 -60.63 3.16 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.16 0.505 . . . . 0.0 110.313 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.8 -17.57 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.672 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -82.55 -60.27 2.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -32.36 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.658 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 t -67.84 -45.51 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.686 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -69.76 -27.91 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.723 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -33.43 63.63 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.233 0.54 . . . . 0.0 109.686 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -18.58 13.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.782 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -71.41 -38.14 71.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -66.52 -40.15 89.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.158 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -33.17 73.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.22 -24.04 37.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.3 m -74.84 -58.76 3.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.082 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.91 67.66 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.748 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.68 -24.48 38.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.934 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.563 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 31.1 mt-10 -61.83 -55.59 28.33 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.029 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -36.77 38.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -85.02 -12.73 52.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.875 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 2.5 ptm85 -173.01 97.0 0.12 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.939 0.4 . . . . 0.0 111.477 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -163.49 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.16 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.5 OUTLIER -47.72 -25.72 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.664 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -79.5 -58.37 3.23 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 121.03 0.443 . . . . 0.0 110.756 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 20.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.252 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -145.76 -50.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.062 178.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 15.9 m -96.07 7.89 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.738 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.664 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 76.7 m -130.7 -29.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.53 -50.61 2.89 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -61.77 -14.34 31.69 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.117 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -38.89 6.29 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.771 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -74.09 -31.96 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.253 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -79.58 -32.55 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -75.9 -31.27 59.11 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -22.93 12.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.318 0.58 . . . . 0.0 109.899 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.81 -20.64 36.25 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.762 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 66' ' ' ILE . 29.7 mm -92.65 -8.46 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -53.54 18.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -62.28 -24.28 67.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.69 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -20.07 2.16 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.04 7.91 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.216 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 75' ' ' LEU . 95.1 t -102.33 -47.99 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.675 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.732 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -81.87 -22.41 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.5 t -78.64 -7.2 57.39 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.32 -15.51 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 71' ' ' VAL . 4.2 mt -123.48 -17.09 6.61 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.732 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -103.52 -9.77 19.03 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 122.053 -0.404 . . . . 0.0 110.997 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.29 40.86 0.85 Allowed Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.4 tt0 62.26 53.43 2.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.36 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.719 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 1.1 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.814 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.681 0.277 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -61.71 -26.03 67.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.01 -49.05 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.052 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.94 -36.78 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.238 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -61.48 -58.47 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.12 0.486 . . . . 0.0 110.27 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.83 -19.7 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.27 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -58.14 3.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.61 -31.65 70.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 m -64.43 -33.11 75.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.9 m -66.61 -33.91 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.531 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -33.79 63.73 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.28 0.562 . . . . 0.0 110.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -106.5 -15.45 14.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.063 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -55.73 -41.65 74.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.983 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.41 78.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -28.28 46.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.261 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -67.56 -47.67 69.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.96 21.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.225 0.536 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -32.54 36.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.698 0.285 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -53.13 6.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -42.17 63.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.2 pp -81.24 -16.62 52.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.134 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 57.45 1.68 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.038 0.447 . . . . 0.0 110.795 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -113.06 -54.36 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.027 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -34.86 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.03 -56.23 4.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.39 17.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.013 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -119.77 -26.16 5.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 110.542 179.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.31 1.88 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.336 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.3 m -122.78 -29.5 3.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.566 0.222 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.03 -43.25 3.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.439 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -69.17 -9.34 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.502 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -96.89 -36.19 10.66 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.5 OUTLIER -93.24 -36.45 12.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 66' ' ' ILE . 5.2 m -80.42 -8.48 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.12 -31.57 72.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 p -55.42 -24.65 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.508 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.84 -24.86 24.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.306 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.2 mm -87.15 -6.2 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -45.9 71.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.223 0.535 . . . . 0.0 110.61 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -22.93 66.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 12.8 m-20 -53.53 -27.16 24.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.837 0.351 . . . . 0.0 111.244 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -90.17 7.53 37.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 75' ' ' LEU . 98.3 t -98.8 -46.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.315 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -82.75 -21.99 34.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.996 0.427 . . . . 0.0 109.853 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 5.3 t -70.06 -21.35 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.854 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.08 -18.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.982 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.732 HD12 HG13 ' A' ' 71' ' ' VAL . 17.3 mt -114.61 -16.21 11.88 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -107.68 -15.13 14.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.446 0.566 . . . . 0.0 111.477 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.19 42.39 0.55 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.608 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 13.5 tt0 65.0 57.33 0.98 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.966 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.6 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.533 0.206 . . . . 0.0 111.318 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.1 m -63.55 -20.0 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.79 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' SER . 14.1 pt20 -63.75 -14.49 52.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.466 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.63 -36.24 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 0.0 110.869 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -67.09 -63.14 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.27 -19.93 50.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.128 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.44 -57.96 3.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.791 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.7 -32.01 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.171 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -67.12 -36.04 81.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.559 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 70.2 m -61.95 -35.47 78.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.494 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -34.91 60.59 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.341 0.591 . . . . 0.0 109.877 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 1.3 t-105 -101.12 -21.21 15.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.794 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -69.94 -35.93 74.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.732 0.301 . . . . 0.0 111.012 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -65.39 -36.96 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.47 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.28 86.76 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 26' ' ' TRP . 9.3 mmmm -79.05 -25.33 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.807 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -69.42 -54.17 15.71 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.153 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.15 -23.26 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.119 0.485 . . . . 0.0 110.258 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.17 -22.16 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.668 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.63 -55.48 34.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -30.19 45.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.957 0.408 . . . . 0.0 110.249 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 49' ' ' LEU . 12.1 mt -88.07 -21.03 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.542 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -110.62 20.73 17.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 15.1 p-10 -72.17 -58.98 2.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.311 0.576 . . . . 0.0 110.342 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' H ' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -46.79 -37.14 8.15 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.452 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t80 -70.5 -55.05 9.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 10.8 p -82.73 16.89 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.166 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -123.28 -19.98 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.507 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.66 -36.96 1.56 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 109.7 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 t -174.8 26.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.105 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.598 ' HB1' ' OG1' ' A' ' 62' ' ' THR . . . 81.27 39.91 0.06 Allowed 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -56.27 -39.63 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.228 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 74.2 mtm -139.2 -0.13 1.86 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.835 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 54' ' ' SER . 2.9 m -76.89 -31.77 56.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.99 0.424 . . . . 0.0 110.242 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.598 ' OG1' ' HB1' ' A' ' 58' ' ' ALA . 86.2 m -86.06 -16.29 38.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -30.81 68.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.451 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -53.67 -24.62 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.796 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.11 -25.82 50.72 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.647 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 4.9 mp -95.21 -15.48 7.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -49.0 63.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.732 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -25.46 39.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 1.2 m-20 -55.91 -22.41 25.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.59 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.19 6.88 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.366 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.819 HG13 HD12 ' A' ' 75' ' ' LEU . 95.9 t -106.23 -44.65 7.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -85.6 -25.6 26.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 46.8 t -70.83 -17.26 62.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.4 t -123.87 -18.84 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.023 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.819 HD12 HG13 ' A' ' 71' ' ' VAL . 11.8 mt -117.23 -16.18 10.38 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 5.4 mttm -104.06 -16.59 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.417 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.5 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 65.99 58.02 0.77 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.678 -0.261 . . . . 0.0 111.562 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 72' ' ' LEU . 22.6 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -61.43 -24.42 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.9 tp60 -55.6 -43.64 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.39 -39.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.457 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -59.31 5.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 110.309 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.42 -18.68 41.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.145 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.24 -57.7 3.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.432 179.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -39.52 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.022 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 m -65.31 -33.63 76.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.9 m -70.71 -31.44 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.308 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -35.14 62.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.199 0.523 . . . . 0.0 109.885 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -106.34 -15.88 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.899 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 9.5 tp10 -58.42 -43.85 88.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 t -61.31 -37.97 85.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 110.37 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.96 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -28.32 50.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.714 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.7 m -71.92 -58.56 3.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.318 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -22.38 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.3 -30.1 54.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.34 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 51.9 mt-10 -76.37 -53.69 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -50.99 -33.18 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.411 . . . . 0.0 110.398 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -92.7 -15.79 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.164 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -147.69 81.42 1.51 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.278 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -157.22 -49.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.867 179.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.4 pp -42.37 -32.01 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.04 0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.734 ' O ' HG22 ' A' ' 57' ' ' THR . 1.9 t80 -82.44 -56.07 4.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.962 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 m -77.28 12.72 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.319 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.79 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 tttm -122.23 -9.92 8.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.698 0.285 . . . . 0.0 110.865 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' HG2' ' A' ' 60' ' ' MET . 0.5 OUTLIER -119.12 3.71 11.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.3 t -122.22 -19.4 6.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.79 -46.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.563 0.221 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -64.08 -12.81 42.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.405 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.465 ' HG2' ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -100.18 -37.62 8.85 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.094 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -32.33 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.4 m -81.0 -23.54 38.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.43 72.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -53.59 -26.58 22.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.41 0.624 . . . . 0.0 109.603 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.06 -25.74 23.63 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.365 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 66' ' ' ILE . 33.8 mm -86.72 -8.53 11.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.755 0.312 . . . . 0.0 111.076 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -48.4 81.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.658 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -27.28 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.576 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.3 OUTLIER -58.67 -19.02 35.74 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' OE1' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -104.22 10.28 35.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.171 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 75' ' ' LEU . 75.2 t -98.92 -43.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.233 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -92.03 -20.39 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.162 0.506 . . . . 0.0 109.677 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -83.27 -10.92 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -125.37 -17.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 71' ' ' VAL . 1.3 mt -124.5 -12.89 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 5.0 mttt -108.14 -11.25 15.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.046 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.12 0.58 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.78 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 1.8 tp10 59.71 57.56 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.562 0.22 . . . . 0.0 111.578 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.61 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.924 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.804 0.335 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -67.73 -17.28 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -77.4 -11.12 59.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.9 -36.96 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -62.0 1.81 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.149 0.499 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.21 -20.41 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.359 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -77.36 -58.04 3.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.57 -34.35 76.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.384 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -37.57 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.431 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 14.6 m -64.59 -33.65 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -35.55 66.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -18.52 17.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.77 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 31.7 tt0 -60.0 -32.97 71.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.064 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -43.2 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.38 . . . . 0.0 110.324 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -34.36 77.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -23.13 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.201 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -69.67 -55.81 8.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -24.13 54.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.156 0.503 . . . . 0.0 110.231 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.36 -36.73 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.067 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.783 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.645 0.26 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.45 46.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.61 24.12 0.73 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.969 0.414 . . . . 0.0 110.751 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.61 -35.87 4.1 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -131.75 10.6 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.664 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -48.99 79.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.69 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.7 pp -48.44 -33.7 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.3 t80 -69.14 -55.44 10.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.904 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.6 t -82.59 16.24 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.838 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.8 tppt? -113.2 -24.8 9.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.851 0.358 . . . . 0.0 110.402 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.5 m -103.55 -28.22 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.43 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.2 p -101.9 -28.78 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -91.8 -42.35 10.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.738 0.304 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.34 -14.5 62.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.41 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 mtt -100.11 -32.77 10.76 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.301 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 -21.6 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 62' ' ' THR . 60.5 m -80.46 2.22 26.05 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.393 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.45 67.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.55 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -52.11 -25.99 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.949 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.9 -24.46 29.91 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.69 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -91.25 -9.83 10.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 111.062 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -46.35 74.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.63 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.773 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.03 -31.62 63.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.4 tp60 -89.03 -2.35 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.755 HG12 HD11 ' A' ' 75' ' ' LEU . 57.4 t -99.69 -66.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -51.07 -29.97 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.967 0.413 . . . . 0.0 110.418 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.518 ' HA ' ' H ' ' A' ' 78' ' ' GLU . 6.0 m -70.66 -27.64 64.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.997 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.2 t -101.97 -20.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.985 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.755 HD11 HG12 ' A' ' 71' ' ' VAL . 90.6 mt -68.4 -46.84 68.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 -67.6 0.56 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.283 0.563 . . . . 0.0 111.284 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.69 51.68 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.964 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.518 ' H ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 79.62 63.14 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.572 ' C ' HD13 ' A' ' 72' ' ' LEU . 5.1 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.013 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.662 0.268 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.23 -34.92 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -7.2 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -112.12 -36.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.26 -21.11 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -57.08 4.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.335 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.055 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -70.92 -43.95 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 39.2 m -65.08 -32.27 73.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.194 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -35.55 70.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.315 0.579 . . . . 0.0 109.684 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -97.22 -18.97 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.522 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -67.67 -38.16 83.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.984 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.84 -38.21 90.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.324 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.57 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -24.08 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.332 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.8 m -72.99 -43.78 61.82 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.35 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.13 0.491 . . . . 0.0 110.229 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.73 23.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.761 0.315 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 5.4 mm-40 -79.12 -48.82 13.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -36.91 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.427 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -18.54 22.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.367 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -137.97 83.34 1.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.006 0.431 . . . . 0.0 111.717 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -177.59 -44.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.641 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -30.75 2.05 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.052 0.453 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -64.96 -56.6 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.593 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 57' ' ' THR . 13.1 m -86.06 14.97 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.89 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -113.3 -28.32 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 0.0 110.655 179.315 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 76.6 p -107.07 8.21 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 53' ' ' TYR . 7.4 t -123.85 -22.57 4.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 -46.0 0.71 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 111.581 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -56.42 -19.03 13.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.662 0.268 . . . . 0.0 111.144 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.6 OUTLIER -120.87 -34.35 3.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.136 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.4 -25.52 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.016 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.9 m -91.03 8.32 35.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.222 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.422 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.41 -30.41 63.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.922 0.391 . . . . 0.0 110.586 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -54.02 -22.58 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.056 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.26 -21.66 60.24 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.71 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' THR . 4.6 mp -101.66 -23.89 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 110.447 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -49.1 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.309 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -24.64 51.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.616 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 73' ' ' SER . 0.4 OUTLIER -60.58 -13.81 16.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.644 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 9.75 22.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.543 0.211 . . . . 0.0 111.472 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.746 HG12 ' CD2' ' A' ' 75' ' ' LEU . 46.2 t -100.26 -65.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.175 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -73.64 -28.39 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.717 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.4 t -66.75 -22.08 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.79 -22.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.746 ' CD2' HG12 ' A' ' 71' ' ' VAL . 1.5 pp -98.56 -22.88 15.74 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.056 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -106.68 -8.7 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.734 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.49 44.45 2.73 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.717 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 77.14 61.04 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.431 -0.384 . . . . 0.0 111.284 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.7 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.99 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.85 0.357 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -54.24 -24.92 20.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.243 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -38.86 73.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.46 -35.84 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -60.97 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.656 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.7 -21.7 19.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.356 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -58.47 3.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.797 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -26.69 68.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.473 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -69.46 -32.2 70.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -65.13 -36.18 83.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -36.84 74.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.696 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -93.48 -16.07 24.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.918 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.9 tt0 -57.62 -38.75 75.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -42.34 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.223 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.46 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -79.02 -25.25 43.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.223 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.1 m -61.92 -40.19 94.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.31 -21.81 16.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.04 -37.18 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.268 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 5.7 m-20 . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 121.094 0.473 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 17.4 mt-10 84.73 -62.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.203 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.92 -45.61 64.32 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -78.86 -27.8 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.742 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.44 26.93 3.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -104.49 -46.64 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.443 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -33.79 30.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.805 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -92.34 -53.17 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.341 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.98 25.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.34 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -144.59 -40.74 0.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.693 179.329 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -92.39 -19.54 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.2 m -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.274 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.65 -46.39 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.27 2.25 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.235 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.61 -33.57 2.75 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.587 0.232 . . . . 0.0 111.502 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -11.12 21.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -106.78 -11.93 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -24.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.21 -23.85 55.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.984 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.3 mp -103.44 -15.51 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 CA-C-O 120.991 0.424 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.56 -48.36 55.7 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -27.74 46.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.46 -25.46 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.283 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.86 16.54 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.689 ' CG1' HD21 ' A' ' 75' ' ' LEU . 85.5 t -108.39 -64.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.753 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.53 -31.97 70.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.638 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -69.94 -13.27 62.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.255 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.9 t -121.16 -21.4 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.689 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.8 pp -126.87 -10.79 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.99 -12.09 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.421 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.5 40.52 0.93 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 5.3 tt0 64.89 61.35 0.79 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.494 -0.353 . . . . 0.0 111.389 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 20' ' ' GLU . 4.3 m -60.62 -18.87 55.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.591 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -57.82 -58.66 7.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -55.3 -35.32 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.101 0.477 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.53 -60.76 2.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 16' ' ' THR . 13.9 mt-10 -56.28 -21.27 22.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -58.04 3.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.822 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -31.0 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -35.87 62.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 5.1 m -61.98 -35.66 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -39.01 66.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.984 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -96.94 -16.26 20.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.798 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 2.8 tm-20 -67.94 -27.72 66.86 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.408 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -65.85 -45.7 81.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.612 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.08 79.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -76.19 -19.25 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.393 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 28' ' ' SER . 86.0 m -62.78 -41.11 99.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.791 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -20.1 34.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.977 0.418 . . . . 0.0 110.562 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.49 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.198 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.862 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 5.8 t70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.772 0.32 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -77.68 -52.62 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -33.8 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -86.46 -17.02 35.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.73 179.359 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -154.3 91.6 1.44 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -146.32 -57.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.728 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.97 -30.2 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.8 t80 -87.97 -54.97 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.36 30.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 ttpm? -151.35 -46.08 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 -8.87 59.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 90.9 m -117.15 -33.89 4.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.05 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.12 -54.38 2.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.558 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -65.48 -8.88 21.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 mmm -87.71 -51.44 5.87 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.798 0.333 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -86.52 -23.92 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.265 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -85.65 -8.8 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.692 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -71.18 -31.89 68.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.918 0.389 . . . . 0.0 110.738 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -22.15 27.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.939 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.59 -19.1 30.65 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.88 -14.59 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -63.07 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.08 -25.23 61.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.21 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -24.79 21.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.364 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.31 11.09 37.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.189 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 75' ' ' LEU . 98.7 t -107.13 -40.51 5.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.308 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -93.72 -19.47 21.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 36.3 t -77.63 -18.63 56.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.722 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.65 -18.4 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 HG13 ' A' ' 71' ' ' VAL . 10.3 mt -115.34 -15.21 11.59 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 7.4 mmtt -106.73 -11.59 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.389 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.41 1.04 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.241 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 17.3 tt0 64.6 57.11 1.13 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.707 0.289 . . . . 0.0 110.988 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HB3' HD12 ' A' ' 72' ' ' LEU . 3.8 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.95 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 21' ' ' SER . 10.4 tt0 -66.75 -19.44 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.79 -36.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.402 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -66.22 -62.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.385 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.23 -20.71 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.12 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.07 -56.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -38.78 90.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.141 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -35.3 80.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.23 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 28.4 m -64.45 -34.27 77.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.374 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -37.73 50.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.262 0.553 . . . . 0.0 109.815 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -98.52 -21.36 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.46 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 4.1 tp10 -72.93 -34.52 66.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.383 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -64.62 -38.39 90.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.85 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.05 -25.24 40.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.15 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.8 m -63.53 -38.24 90.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.538 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.96 -21.0 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.19 -33.17 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.37 0.605 . . . . 0.0 110.84 179.86 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.696 0.284 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -84.58 -43.7 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -41.5 66.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 109.954 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD12 ' HE ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -84.19 -20.54 32.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.608 179.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HE ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.12 68.49 1.2 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.861 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.2 m-20 -144.45 -48.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.9 -36.83 28.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.44 -55.92 6.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.209 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 p -82.94 16.48 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.296 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 22.7 tptp -116.31 -26.68 7.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.903 0.382 . . . . 0.0 110.429 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.3 p -108.3 -19.54 13.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.6 m -105.74 -16.54 14.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.185 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.77 -37.96 3.35 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.771 0.319 . . . . 0.0 111.332 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.47 5.47 31.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.8 mtt -125.84 -42.24 1.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -27.0 53.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -85.68 4.53 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.383 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -30.46 62.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.966 0.412 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -52.93 -25.34 11.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.42 -22.08 32.86 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.707 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mm -92.6 -12.49 8.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -56.25 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.436 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.34 -25.92 63.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.169 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -57.81 -32.63 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.43 6.13 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HD12 ' A' ' 75' ' ' LEU . 83.5 t -93.12 -40.94 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.27 -25.07 18.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 10.8 t -76.84 -15.28 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.984 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 74' ' ' VAL . 23.2 t -125.18 -16.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HG13 ' A' ' 71' ' ' VAL . 4.7 mt -122.99 -7.78 8.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.493 0.924 . . . . 0.0 113.493 -178.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 4.9 mptt -114.59 -10.51 12.51 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.962 -0.461 . . . . 0.0 111.464 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 112.71 51.36 0.53 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 pt-20 51.87 58.26 5.65 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.821 0.343 . . . . 0.0 111.781 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' N ' ' HA ' ' A' ' 73' ' ' SER . 6.2 tt0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -54.66 -24.24 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 21' ' ' SER . 2.0 mt-30 -63.25 -49.0 75.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.604 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.95 -34.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -64.64 -61.61 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.423 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.29 -21.58 59.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.31 -56.22 4.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.863 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -32.17 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.509 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -71.15 -39.83 71.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 73.8 m -64.43 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -35.52 68.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -99.89 -17.89 17.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.837 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 6.3 tt0 -69.67 -38.8 77.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -39.84 94.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.89 78.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -23.87 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.172 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.0 m -75.92 -56.45 4.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.328 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -23.24 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.32 -23.28 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.866 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.859 0.361 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.64 -48.49 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -50.58 -33.72 23.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.093 0.473 . . . . 0.0 110.249 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.12 -22.81 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.46 8.4 44.69 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.611 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -82.76 -48.72 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.624 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -34.34 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.093 0.473 . . . . 0.0 110.741 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.49 -54.6 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.3 21.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.422 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 tmtm? -133.92 -35.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -98.1 -17.14 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 m -111.72 -23.78 10.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.29 -43.29 4.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.65 0.262 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.55 1.65 32.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 64' ' ' THR . 97.6 mmm -119.55 -36.79 3.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 t -83.33 -14.49 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -67.75 -39.34 84.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -31.41 53.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.32 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' MET . 72.3 p -53.66 -24.69 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 109.928 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -23.27 63.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.586 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.3 mp -103.16 -13.99 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -49.06 44.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -24.23 48.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -58.26 -27.96 64.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.294 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.6 pt20 -93.81 1.25 56.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.502 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.805 HG12 ' CD1' ' A' ' 75' ' ' LEU . 89.6 t -98.3 -70.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.601 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -51.34 -28.21 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.122 0.487 . . . . 0.0 110.284 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 1.5 m -70.75 -29.12 65.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.853 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.3 t -101.97 -20.39 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.805 ' CD1' HG12 ' A' ' 71' ' ' VAL . 85.3 mt -68.14 -47.7 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.75 -68.01 0.55 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.37 0.605 . . . . 0.0 111.238 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.15 50.81 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.92 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' N ' ' HA ' ' A' ' 73' ' ' SER . 11.5 tt0 79.72 56.95 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.198 0.523 . . . . 0.0 110.26 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.857 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -48.57 -27.58 2.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.595 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -57.12 -39.12 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.5 -35.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.5 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -61.32 -60.26 4.0 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.1 -20.37 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.04 3.51 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.825 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.332 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.4 m -65.09 -33.96 77.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -37.42 69.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.307 0.575 . . . . 0.0 109.738 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.23 -20.25 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.522 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.35 -39.55 89.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -38.11 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.366 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.89 81.23 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -26.93 51.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.339 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -67.07 -43.99 81.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.92 18.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.266 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.83 -35.07 38.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.28 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.53 -46.1 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.744 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -28.02 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.83 -23.42 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.77 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 ttp85 -112.89 30.98 6.73 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.31 -48.74 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.408 . . . . 0.0 110.72 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -51.88 -25.51 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.86 -57.35 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 m -90.94 32.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.035 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.15 -43.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 26.8 m -91.2 -2.86 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.638 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -123.55 -37.26 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.57 -51.63 4.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.73 -10.16 50.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -38.55 18.39 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.091 0.472 . . . . 0.0 110.268 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -27.98 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.63 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -72.52 -21.48 61.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -30.63 69.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 110.415 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.1 p -54.16 -25.22 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.714 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.23 -20.28 30.67 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.732 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.2 mm -93.27 -13.89 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -51.64 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.46 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.75 -26.05 21.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.295 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -93.46 6.55 47.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.246 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.621 HG13 HD12 ' A' ' 75' ' ' LEU . 58.8 t -98.85 -43.59 11.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -89.48 -23.81 21.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 45.1 t -72.1 -19.17 61.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -123.09 -19.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 71' ' ' VAL . 11.5 mt -114.52 -15.01 12.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 8.0 mmtm -106.59 -12.56 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.283 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.02 43.54 1.0 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 66.4 54.77 0.88 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.723 0.297 . . . . 0.0 110.792 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.825 ' C ' HD12 ' A' ' 72' ' ' LEU . 58.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.777 0.322 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -29.13 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.688 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -66.66 -24.87 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.218 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.93 -36.63 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.485 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.94 -61.24 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.26 -20.52 18.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.28 -57.65 3.67 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.076 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.55 -33.92 75.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -68.25 -34.98 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.787 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -65.31 -34.1 77.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -40.36 66.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.196 0.522 . . . . 0.0 109.827 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -92.44 -20.31 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.504 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.42 -36.41 65.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.764 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.58 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -21.76 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.298 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -75.75 -48.68 20.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.2 51.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.05 -27.65 21.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.625 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.723 0.297 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.73 -47.06 82.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -49.67 -32.43 13.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.0 109.996 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.11 -30.47 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.205 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -100.97 28.18 5.46 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -39.51 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.1 pp -51.97 -37.45 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.965 0.412 . . . . 0.0 110.784 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.8 t80 -59.66 -56.49 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.751 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 27.0 t -86.22 17.36 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.79 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.2 mtpp -116.72 -30.87 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.901 0.382 . . . . 0.0 110.471 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -106.3 -24.88 12.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.396 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 m -99.88 -25.76 14.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -96.0 -38.27 10.3 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -62.7 -18.3 62.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.766 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -103.07 -34.11 9.01 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.053 0.454 . . . . 0.0 110.865 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 60' ' ' MET . 12.0 t -79.56 -33.89 41.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -72.21 -27.05 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -31.13 66.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -54.39 -24.12 18.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.921 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.5 29.46 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.608 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mm -89.58 -13.02 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.952 0.406 . . . . 0.0 110.991 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -48.3 79.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -53.32 -28.32 27.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.68 10.83 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.698 ' CG1' HD21 ' A' ' 75' ' ' LEU . 83.8 t -104.26 -58.39 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.032 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -73.32 -28.58 62.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.251 0.548 . . . . 0.0 109.545 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 25.7 t -69.36 -13.28 62.29 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.977 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 t -122.73 -22.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.698 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.9 pp -125.45 -4.14 7.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -112.84 -10.67 13.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.555 0.616 . . . . 0.0 111.527 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 114.74 50.54 0.48 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.3 pt-20 52.3 58.23 5.63 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.471 -0.364 . . . . 0.0 111.71 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.9 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.972 0.415 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -64.36 -26.36 68.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.7 mm-40 -65.26 -34.07 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 22' ' ' LEU . 22.4 t -68.71 -39.75 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.24 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.4 -18.55 28.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.526 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.07 -58.04 3.47 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 18' ' ' VAL . 1.7 mt -64.86 -33.67 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.148 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 38.5 t -72.09 -40.99 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.426 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.2 m -60.1 -34.2 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.726 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.8 61.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.145 0.497 . . . . 0.0 109.961 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -101.31 -16.33 16.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.776 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.7 tt0 -74.36 -35.83 63.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -65.29 -41.41 94.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.179 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.1 79.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -77.69 -27.02 50.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.151 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 m -63.49 -44.16 95.18 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.94 36.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.079 0.466 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -35.28 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.497 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.091 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.719 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -103.82 -56.64 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.198 0.523 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -21.43 65.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.646 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.39 -13.27 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.281 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.31 77.87 0.23 Allowed 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.588 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.719 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 5.6 m-20 175.41 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp -47.55 -29.69 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.83 -53.64 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.848 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.72 18.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -131.49 -31.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 178.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -100.83 -20.1 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.292 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 6.5 p -111.22 -16.65 13.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.659 0.266 . . . . 0.0 111.2 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -112.07 -40.59 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -88.34 6.6 36.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.671 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 mtp -148.26 -29.66 0.3 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -106.45 19.15 20.93 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.539 -179.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 63.3 m -136.33 -34.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.501 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -33.13 73.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.0 110.383 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.0 p -55.52 -23.04 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.746 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.46 -24.09 22.33 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.81 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 62' ' ' THR . 23.5 mm -88.3 -14.83 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-O 121.131 0.491 . . . . 0.0 110.962 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -50.15 75.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -64.02 -24.34 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.855 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.46 -23.49 39.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.74 22.31 15.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.518 ' O ' HD23 ' A' ' 75' ' ' LEU . 89.7 t -116.15 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -76.47 -34.04 58.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.947 179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.73 -13.0 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 0.0 109.893 178.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.48 -20.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.26 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 71' ' ' VAL . 1.6 pp -99.03 -43.56 6.63 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.837 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -3.31 7.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.037 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 67.23 42.44 90.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.578 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.9 mm-40 -130.55 -9.42 4.08 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.608 ' C ' HD12 ' A' ' 72' ' ' LEU . 5.2 pt-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.541 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.656 0.265 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -70.91 -17.89 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.0 OUTLIER -67.66 -21.63 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.082 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -98.07 -37.2 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -65.34 -61.44 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.166 0.508 . . . . 0.0 110.478 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.65 -20.07 30.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.343 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.01 -58.84 3.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.51 179.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -33.81 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.184 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -33.98 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.8 m -63.91 -35.25 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.679 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -37.12 65.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.15 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -101.82 -14.99 17.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.101 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 5.0 tm-20 -60.92 -35.06 75.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -65.77 -41.81 91.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.026 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.18 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -78.69 -26.54 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.199 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.3 m -68.21 -51.36 46.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.74 -24.17 14.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.305 0.574 . . . . 0.0 110.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -40.64 26.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.065 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.474 0.654 . . . . 0.0 110.436 179.608 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.542 0.21 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 4.2 pt-20 -77.58 -43.68 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.068 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -56.04 -35.52 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.107 0.479 . . . . 0.0 109.929 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.87 -21.08 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.917 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 7.4 mmm180 -84.41 -13.65 51.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.71 0.29 . . . . 0.0 111.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -69.54 -46.76 65.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.933 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -46.49 -31.16 2.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.002 0.43 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -76.93 -56.35 4.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' HG22 ' A' ' 57' ' ' THR . 58.6 m -77.43 10.34 2.62 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -115.07 -21.92 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.742 0.306 . . . . 0.0 110.798 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 21.5 m -111.25 8.32 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -120.34 -22.37 6.55 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.664 0.268 . . . . 0.0 111.708 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -62.09 -14.09 33.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.361 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' N ' ' A' ' 61' ' ' SER . 1.3 ptm -109.54 -35.59 6.19 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.382 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.575 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -74.41 -28.33 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.442 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -87.83 -34.56 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -32.06 49.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.459 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -53.34 -25.09 13.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.286 0.565 . . . . 0.0 110.014 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.28 -21.45 29.74 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.009 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mm -94.2 -18.22 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-O 121.045 0.45 . . . . 0.0 111.104 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -60.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.735 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -26.16 67.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.001 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.24 -27.0 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.262 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 9.47 39.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.347 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.77 HG13 HD12 ' A' ' 75' ' ' LEU . 88.6 t -103.44 -48.65 10.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -80.61 -29.3 36.86 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 109.649 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 11.2 t -67.12 -19.71 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.6 t -123.74 -19.22 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.77 HD12 HG13 ' A' ' 71' ' ' VAL . 13.7 mt -114.57 -15.46 12.0 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -106.1 -14.69 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.293 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.11 42.87 0.88 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 67.52 57.76 0.55 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.619 -0.29 . . . . 0.0 110.977 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.017 0.437 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -68.83 -29.6 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.2 OUTLIER -66.07 -15.8 63.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.61 -35.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -61.58 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.44 -19.11 33.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -80.68 -57.27 3.64 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.09 -32.23 72.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -68.82 -46.4 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.069 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 52.2 m -68.26 -30.25 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.786 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -34.87 65.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.759 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -104.71 -17.44 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -63.55 -44.6 93.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.793 0.33 . . . . 0.0 110.356 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -37.93 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.51 75.87 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -27.87 42.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.012 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.5 m -74.3 -55.91 5.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.061 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.84 -24.48 36.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.03 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.48 -37.23 57.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.041 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.254 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.5 m-20 . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.15 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.987 177.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -40.62 -34.33 0.36 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.21 0.528 . . . . 0.0 110.659 -179.145 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -114.09 -22.16 10.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.796 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -86.69 8.18 23.54 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.378 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 m-20 -102.49 -39.08 7.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -55.48 -24.98 34.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.769 0.318 . . . . 0.0 111.122 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.433 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.4 t80 -100.1 -55.48 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 111.515 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -84.65 27.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.594 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.896 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -146.03 -37.19 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -97.52 -26.75 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 26.3 m -104.26 -22.15 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.44 -38.47 7.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.394 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -84.9 4.65 32.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.364 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -128.14 -26.29 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -23.22 13.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.599 0.238 . . . . 0.0 111.192 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -89.35 -11.16 44.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.535 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -69.05 -28.87 66.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.473 179.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -53.73 -23.77 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.989 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.26 -22.21 57.33 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.736 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 5.2 mp -99.39 -22.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.196 0.522 . . . . 0.0 110.614 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.25 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -27.04 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.213 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -55.58 -27.05 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.076 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 15.3 tp60 -95.83 14.88 21.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.843 HG12 HD23 ' A' ' 75' ' ' LEU . 89.3 t -110.2 -56.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.036 0.446 . . . . 0.0 110.24 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -67.42 -38.97 85.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.637 179.591 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.525 ' N ' ' H ' ' A' ' 79' ' ' GLU . 1.6 p -71.69 -18.45 62.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 42.1 t -105.47 -19.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.962 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.843 HD23 HG12 ' A' ' 71' ' ' VAL . 1.4 pp -100.58 -42.08 6.69 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -3.08 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.203 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 65.06 41.08 97.36 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -115.15 -32.53 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.919 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 70.9 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.239 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -50.34 -25.09 3.45 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -45.9 -43.93 14.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.984 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 22' ' ' LEU . 23.4 t -66.28 -36.69 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.264 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.19 -59.9 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.42 -21.21 35.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.058 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.98 -56.65 4.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.607 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD11 HG12 ' A' ' 18' ' ' VAL . 2.4 mt -63.04 -34.42 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.6 m -65.33 -33.51 76.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.246 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 56.0 m -64.64 -36.63 84.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -36.58 72.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.781 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -93.84 -17.14 23.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.845 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -63.88 -42.49 97.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.41 -38.53 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.023 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -77.69 -28.04 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.908 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.8 m -68.42 -55.85 10.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.316 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.3 -23.03 45.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.02 41.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.149 179.456 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.565 0.221 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -41.67 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -58.3 -25.73 62.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.235 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.58 -18.28 14.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 71.66 1.45 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 3.7 m-20 -139.87 -54.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.364 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -50.2 -36.55 31.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.499 179.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -87.15 -52.49 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 46.4 t -72.86 12.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -116.02 -16.56 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.668 178.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 m -109.01 -21.04 12.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.894 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 p -113.59 -26.08 8.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.317 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -104.72 -50.76 3.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' C ' HG22 ' A' ' 62' ' ' THR . . . -68.03 -8.88 41.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.844 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.5 mmm -104.14 -48.35 3.9 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-O 120.917 0.389 . . . . 0.0 110.463 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -73.17 -13.19 61.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.028 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.454 HG22 ' C ' ' A' ' 59' ' ' ALA . 5.3 t -65.08 -42.96 93.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.4 63.1 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.222 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -55.48 -23.06 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.254 0.549 . . . . 0.0 109.657 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.37 -23.88 32.9 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.269 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.598 HG22 HE21 ' A' ' 70' ' ' GLN . 27.1 mm -86.58 -11.38 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.699 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -60.91 2.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.47 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -24.28 66.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.616 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.13 -27.14 65.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.598 HE21 HG22 ' A' ' 66' ' ' ILE . 9.5 mt-30 -96.43 7.97 45.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.925 HG13 HD21 ' A' ' 75' ' ' LEU . 73.6 t -99.4 -69.54 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.45 -28.66 70.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.166 0.508 . . . . 0.0 109.792 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.66 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 12.0 t -72.22 -10.66 60.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.95 -23.5 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.925 HD21 HG13 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.04 -7.19 6.01 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -106.36 -12.29 15.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.539 0.609 . . . . 0.0 111.571 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.48 41.67 0.67 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.399 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 63.42 56.23 1.68 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 120.556 0.217 . . . . 0.0 111.153 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.949 0.404 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -29.98 67.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.84 -5.86 45.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 22' ' ' LEU . 38.3 t -111.68 -36.62 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -66.13 -63.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.303 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.52 -22.22 54.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.29 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -56.94 4.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.716 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -63.29 -30.47 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.8 t -69.65 -34.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.5 m -64.97 -34.82 79.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.426 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -35.26 64.09 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.263 0.554 . . . . 0.0 109.971 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -102.88 -16.21 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.069 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 18.0 tt0 -61.53 -42.29 98.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -62.23 -36.67 82.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.016 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.52 82.07 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -28.97 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.933 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.8 m -67.47 -53.07 32.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.036 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.9 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.097 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.07 -30.38 34.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.388 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.324 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.326 0.584 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -145.57 -51.24 0.25 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.085 -178.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -121.05 -23.25 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.379 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.22 -18.73 13.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.274 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' HB2' ' N ' ' A' ' 46' ' ' ASP . 3.2 mmt180 -138.76 37.16 2.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.495 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -97.66 -31.82 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -40.37 39.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.32 -55.87 21.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 1.022 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 67.5 p -74.48 4.83 5.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.99 -5.11 23.76 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.64 -31.45 0.77 Allowed 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.216 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.63 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 3.3 t -178.91 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 61' ' ' SER . . . 145.4 44.74 0.0 OUTLIER 'General case' 0 C--N 1.346 0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 1.022 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -63.59 -32.78 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.238 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -92.92 -36.22 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.719 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.724 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 15.7 m -67.68 -36.95 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.7 m -58.47 -24.62 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -30.83 69.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -23.99 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.913 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.59 -20.57 28.9 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.803 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.46 -10.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 111.252 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -51.0 63.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -22.35 61.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.233 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -29.58 33.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.683 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.46 1.31 56.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.69 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.32 -64.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -55.78 -26.27 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.497 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 75.4 m -81.48 -15.36 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.7 t -112.1 -18.56 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.754 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 ' CD2' ' HA ' ' A' ' 72' ' ' LEU . 2.5 pp -82.76 -36.09 25.99 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.216 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.18 -78.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.232 0.539 . . . . 0.0 111.242 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -171.36 48.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' N ' ' HA ' ' A' ' 73' ' ' SER . 4.5 tt0 79.46 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.125 0.488 . . . . 0.0 110.298 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 23.9 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.874 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.871 0.367 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -53.7 -26.55 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.506 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.8 OUTLIER -69.75 -20.4 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.249 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 t -106.39 -34.94 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.44 -20.35 44.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.304 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.68 -58.27 3.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.687 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.14 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' GLU . 20.2 t -70.19 -39.5 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.078 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.617 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.8 m -60.48 -35.55 76.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -35.97 61.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 110.224 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -16.63 15.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.929 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.617 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 4.4 tt0 -64.83 -41.66 95.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.665 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -63.4 -36.21 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -35.85 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -28.64 34.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.011 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -69.74 -47.6 62.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.66 -22.79 37.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.097 0.475 . . . . 0.0 110.316 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.36 31.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.78 0.324 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 31.4 mt-10 -76.67 -48.22 19.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -56.4 -29.86 62.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.252 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -92.93 -18.1 23.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.041 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.644 ' HD3' HD11 ' A' ' 49' ' ' LEU . 2.7 ptt180 -176.44 105.96 0.07 Allowed 'General case' 0 C--N 1.338 0.085 0 CA-C-O 121.26 0.552 . . . . 0.0 111.857 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -175.74 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.497 179.143 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -29.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.122 0.487 . . . . 0.0 110.482 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.491 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -94.66 -53.96 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.073 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 p -82.71 24.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.681 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.0 mmtp -149.95 -44.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.664 0.269 . . . . 0.0 110.673 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 -16.63 22.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.445 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 85.4 m -112.8 -16.18 12.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.176 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -42.01 3.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.39 5.64 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.1 mtp -125.46 -32.86 2.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -85.26 -31.75 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.074 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -91.56 5.31 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.47 66.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.929 0.395 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 t -54.34 -24.59 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.55 -22.05 30.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.674 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' ILE . 27.9 mm -92.58 -10.36 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -51.08 59.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.14 33.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.77 -21.52 41.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' HG ' ' A' ' 73' ' ' SER . 7.6 mt-30 -100.79 13.34 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.267 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.22 -66.85 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -68.52 -24.95 64.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.679 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 14.7 p -75.78 -16.03 60.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.262 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.28 -21.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.8 pp -119.4 -9.92 9.79 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -108.81 -6.2 15.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.368 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.84 46.41 1.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 9.9 tt0 63.76 57.82 1.34 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.611 -0.295 . . . . 0.0 110.876 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' N ' ' HA ' ' A' ' 73' ' ' SER . 34.0 tt0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.948 0.404 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' SER . 13.3 tt0 -64.07 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.3 t -86.69 -37.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -60.51 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.462 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.37 -19.99 17.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.39 -57.93 3.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.409 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -33.72 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.708 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.8 m -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -35.93 64.75 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.209 0.528 . . . . 0.0 109.92 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -103.5 -15.56 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.89 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 33.8 tt0 -61.72 -37.46 84.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.676 0.274 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -62.99 -41.89 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.279 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.17 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -83.51 -22.98 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -65.87 -44.3 85.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.25 46.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.137 0.494 . . . . 0.0 110.281 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.99 -28.25 25.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.352 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 179.668 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.83 0.347 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.7 -41.77 87.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -50.88 -34.75 29.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 0.0 110.29 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.18 -21.5 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.866 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.55 18.28 15.79 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.681 0.277 . . . . 0.0 111.218 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -101.87 -44.02 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -44.28 71.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.515 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -53.06 36.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.87 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.49 ' HB2' ' N ' ' A' ' 61' ' ' SER . 89.8 p -72.35 7.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.003 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -133.96 -9.86 2.68 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.054 178.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 t -51.44 -32.64 27.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 22.6 m -145.89 -5.46 0.62 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.252 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 72.46 41.78 0.57 Allowed 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.0 -30.3 12.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.646 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 8.2 mmm -106.79 -0.01 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.611 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' THR . 39.0 t -102.43 -34.22 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.744 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 m -60.04 -38.8 83.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -30.68 42.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.56 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.933 HG22 ' O ' ' A' ' 61' ' ' SER . 1.5 t -52.88 -24.73 9.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.233 0.54 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.97 -24.23 72.43 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.482 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 66' ' ' ILE . 5.0 mp -102.02 -20.23 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -47.0 76.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.286 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.418 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.07 -25.81 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.53 -26.92 34.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -88.39 4.26 46.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.79 HG13 HD12 ' A' ' 75' ' ' LEU . 67.1 t -98.48 -44.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.88 -24.35 35.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.7 m -68.07 -20.46 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.029 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.38 -19.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.79 HD12 HG13 ' A' ' 71' ' ' VAL . 18.6 mt -112.23 -15.74 13.13 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 22.6 mttp -106.67 -15.24 14.81 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.113 -0.367 . . . . 0.0 111.406 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.38 42.9 0.79 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 2.5 tt0 67.69 57.25 0.54 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.641 -0.28 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mt-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.826 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.901 0.381 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -66.37 -31.06 71.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.99 -36.75 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -60.62 2.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.152 0.501 . . . . 0.0 110.291 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -20.77 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -57.15 4.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.792 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -68.03 -30.79 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.226 179.447 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.98 59.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.903 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 18.7 p -73.51 -31.64 63.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.51 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -38.57 73.53 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.268 0.556 . . . . 0.0 109.664 179.389 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -96.31 -17.19 20.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.875 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 19.0 tt0 -57.84 -39.99 79.03 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.729 0.3 . . . . 0.0 110.746 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -63.45 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.185 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.02 82.39 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -75.25 -28.09 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.821 178.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 m -73.01 -60.08 2.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.163 179.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.42 45.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.153 0.501 . . . . 0.0 109.916 179.05 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.94 65.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.691 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.816 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.628 0.251 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 3.4 mp0 -81.12 -46.74 14.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.588 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -54.52 -24.77 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.9 -17.8 14.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.056 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -161.07 96.36 1.09 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.315 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -161.81 -50.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.493 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -49.59 -36.0 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.032 0.444 . . . . 0.0 110.738 179.72 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -64.04 -57.08 10.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.45 14.78 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.865 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.9 ttpp -112.1 -12.82 13.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.049 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.9 p -118.35 -10.99 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.138 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -111.75 -8.87 14.13 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.585 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -139.51 -49.33 0.49 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.306 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -58.59 -14.14 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.33 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.4 ptm -126.78 -41.18 1.85 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -42.49 53.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.591 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 39.2 m -71.92 -8.53 54.93 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -31.42 69.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.985 0.422 . . . . 0.0 110.361 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -56.03 -23.61 34.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.872 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.91 -20.21 29.12 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.811 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 66' ' ' ILE . 41.0 mm -93.86 -8.84 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.79 71.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -28.77 16.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.411 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -56.1 -24.04 37.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.1 pt20 -89.17 1.51 55.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.577 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.765 HG12 ' CD1' ' A' ' 75' ' ' LEU . 88.4 t -100.77 -71.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.467 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.71 -26.98 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.359 179.223 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 19.4 m -71.78 -30.06 65.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.718 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 14.6 t -101.06 -20.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.171 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.765 ' CD1' HG12 ' A' ' 71' ' ' VAL . 83.6 mt -68.14 -46.14 71.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.648 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.0 -67.58 0.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.348 0.594 . . . . 0.0 111.328 -178.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.77 51.88 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.909 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.537 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.0 tt0 77.23 56.85 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.089 0.471 . . . . 0.0 110.191 -179.202 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 5.5 tm-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.911 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -67.39 -16.68 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.535 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -38.75 74.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.54 -35.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.722 179.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -60.56 3.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.262 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.18 -19.98 37.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.355 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -58.13 3.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.636 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.85 -31.76 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -71.81 -38.53 70.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.1 p -66.99 -31.86 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -36.15 60.46 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.274 0.559 . . . . 0.0 109.918 179.194 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -21.54 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.817 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 11.9 tt0 -66.08 -38.14 87.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -63.48 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.15 80.91 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -81.07 -24.97 37.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.382 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.48 -43.19 77.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -21.99 21.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.45 -31.66 24.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.538 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' CB ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 111.051 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 mt-10 50.52 26.99 2.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.437 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 50.23 29.75 3.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.594 0.712 . . . . 0.0 109.373 -178.502 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -119.34 -42.55 2.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.273 -179.086 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.9 ttt180 -83.48 -5.67 59.23 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.283 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -63.03 -54.99 29.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.59 179.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.77 -32.66 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.713 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.778 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -65.46 -57.3 8.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.611 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 17.31 8.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.76 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -13.39 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -112.25 -26.51 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 53' ' ' TYR . 13.6 t -105.68 4.98 30.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.764 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.65 -49.25 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.43 -11.45 33.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.488 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ptm -129.26 -41.82 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.749 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.82 -44.07 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.619 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.5 m -84.3 -17.89 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.498 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -30.93 67.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.903 0.383 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -25.27 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.322 0.582 . . . . 0.0 109.89 179.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.33 -20.42 30.0 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 66' ' ' ILE . 44.7 mm -93.23 -12.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.9 0.381 . . . . 0.0 110.98 179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -47.32 82.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -21.32 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -27.83 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.42 5.3 48.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 75' ' ' LEU . 57.9 t -101.4 -64.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -56.33 -27.79 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.063 0.459 . . . . 0.0 109.899 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.4 t -74.11 -9.37 58.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.114 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.73 -22.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -133.02 -5.82 3.09 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -178.336 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.829 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -106.79 -12.18 15.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.971 0.805 . . . . 0.0 111.735 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.76 0.56 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.705 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.656 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.5 OUTLIER 62.3 59.13 1.63 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.479 0.181 . . . . 0.0 111.433 179.758 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.2 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.217 -0.896 . . . . 0.0 111.03 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -55.18 -26.65 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.4 tt0 -65.73 -45.97 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.497 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.4 -35.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.185 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.33 -19.69 56.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.247 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.01 -56.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.835 179.833 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.09 89.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.304 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -65.27 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.633 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 43.4 m -64.28 -35.05 79.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.428 179.536 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -40.64 61.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.18 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -97.16 -16.55 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.155 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 21.1 mt-10 -51.44 -41.63 60.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.334 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -62.14 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.54 75.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 -24.56 35.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.063 178.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -67.15 -48.78 67.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.88 35.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.92 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.553 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 56.4 mt-10 -77.17 -47.03 21.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.57 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -35.75 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 109.965 179.237 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -91.6 -16.01 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.251 179.801 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 87.26 1.71 Allowed 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 111.502 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 179.16 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 179.453 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.08 -34.53 22.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.46 . . . . 0.0 110.493 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' O ' ' HB ' ' A' ' 57' ' ' THR . 2.2 t80 -92.26 -53.43 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.692 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -81.76 27.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.614 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 8.9 ttmm -163.44 -53.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.21 10.11 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 39.6 m -133.51 -32.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 110.877 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.63 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.82 -12.37 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.713 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -98.43 -33.75 10.91 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.0 0.429 . . . . 0.0 110.568 179.546 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.69 -30.1 32.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 179.674 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -73.09 -6.88 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -31.32 68.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.622 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -24.54 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.757 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -22.42 31.69 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.449 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.9 -12.45 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.766 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.487 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -64.77 -46.23 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.252 179.906 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.438 ' HA ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -61.14 -21.45 63.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.97 -179.286 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -29.68 46.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 67' ' ' PHE . 5.3 pp0? -95.14 6.28 49.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.661 0.267 . . . . 0.0 111.517 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.638 HG13 HD12 ' A' ' 75' ' ' LEU . 57.6 t -93.2 -41.02 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -92.79 -19.07 22.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 30.2 t -78.15 -15.56 58.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 178.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.95 -16.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.947 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.638 HD12 HG13 ' A' ' 71' ' ' VAL . 7.5 mt -118.12 -14.86 9.9 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 2.5 mttt -106.89 -10.87 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.13 -0.356 . . . . 0.0 111.249 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.97 43.96 0.91 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.26 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 61.85 58.31 1.97 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.292 . . . . 0.0 111.591 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.801 ' CB ' HD12 ' A' ' 72' ' ' LEU . 7.6 mm-40 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.704 179.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.796 0.331 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 m -48.45 -29.05 3.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.683 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 31.4 tt0 -60.15 -61.0 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.637 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.81 -34.71 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.69 -60.44 3.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.38 -20.29 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.165 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.52 -56.97 3.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -68.3 -39.65 81.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.627 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 70.5 m -66.48 -32.19 73.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -38.29 68.32 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.26 0.552 . . . . 0.0 110.006 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -100.49 -15.85 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.775 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 12.2 tp10 -62.62 -37.14 85.1 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -64.6 -42.08 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.17 81.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -24.99 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.945 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -72.62 -60.59 2.16 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.264 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.22 66.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.858 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.61 -40.29 49.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.87 178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.333 -0.12 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.751 179.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 1.2 m-20 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.674 0.273 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.24 -46.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -54.14 -46.74 72.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.046 0.45 . . . . 0.0 109.938 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 49' ' ' LEU . 1.4 pp -77.07 -17.99 58.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.651 179.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -100.11 13.07 35.37 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.16 179.675 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -42.41 14.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.449 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.89 -39.02 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.91 -58.13 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 60' ' ' MET . 0.0 OUTLIER -80.24 17.59 1.01 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.086 -179.707 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 -19.0 7.28 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.61 178.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -33.85 1.79 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.557 0.694 . . . . 0.0 109.43 178.022 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.0 t 179.55 29.9 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.152 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 76.97 42.08 0.15 Allowed 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.08 86.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.26 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.428 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.5 mmt -131.38 -1.6 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.552 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.7 p -83.44 -17.68 41.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.606 0.241 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 t -54.82 -45.82 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -32.77 71.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -55.58 -23.18 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.284 0.564 . . . . 0.0 109.878 179.182 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.66 -21.09 29.79 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 178.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 66' ' ' ILE . 36.7 mm -90.03 -12.63 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -48.13 36.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -19.35 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.62 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -25.68 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.632 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -99.38 15.52 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.831 HG12 HD23 ' A' ' 75' ' ' LEU . 96.2 t -112.86 -53.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -72.18 -36.73 69.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.323 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.416 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -75.29 -9.38 58.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.584 178.606 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.02 -18.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 HG12 ' A' ' 71' ' ' VAL . 1.9 pp -102.26 -38.01 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.014 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' A' ' 78' ' ' GLU . 3.1 tttp -108.59 -8.01 15.57 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.439 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.22 34.4 89.86 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.86 -27.99 0.48 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.542 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 3.6 tm-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.622 -179.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.905 0.384 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.7 m -58.4 -31.45 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.2 mt-30 -74.2 -7.55 53.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.12 -35.79 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.399 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -65.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.809 179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.5 -21.32 59.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.057 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -72.38 -56.06 6.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.357 179.393 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.03 -38.09 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.023 179.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.54 -34.99 76.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.206 179.387 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.1 m -61.09 -36.43 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -38.12 62.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.325 0.583 . . . . 0.0 109.862 179.379 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -99.47 -16.67 18.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.856 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 6.5 tt0 -67.51 -40.44 85.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.723 0.296 . . . . 0.0 111.022 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 -39.86 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.135 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.96 80.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.18 -27.87 57.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.835 178.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.8 m -73.31 -60.27 2.32 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.85 41.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -43.13 31.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.211 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.657 179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.8 0.333 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -55.21 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -29.72 12.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.7 -19.29 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 0.47 44.61 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.355 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -71.66 -51.63 22.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.806 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.74 -31.14 4.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 57' ' ' THR . 2.4 t80 -63.56 -57.47 10.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.63 17.28 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.598 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -114.5 -29.62 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.375 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.3 p -109.4 10.08 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 53' ' ' TYR . 16.5 p -130.54 -22.28 2.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.281 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.47 -44.47 2.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.79 -12.78 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.338 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -111.77 -35.36 5.76 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.006 0.432 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -68.59 -23.18 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.954 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -79.74 -37.49 35.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -31.42 63.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -25.65 15.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.357 0.598 . . . . 0.0 109.808 179.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.73 -24.04 34.12 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.627 178.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -92.81 -13.04 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -47.05 85.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -53.27 -25.17 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.166 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -55.99 -27.88 54.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.9 0.381 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.57 13.29 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 75' ' ' LEU . 98.4 t -100.87 -68.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.35 -28.66 70.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 179.35 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.629 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 t -70.07 -12.51 61.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.117 179.162 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.91 -21.32 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD21 HG13 ' A' ' 71' ' ' VAL . 3.5 pp -127.4 -9.06 5.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -103.22 -16.59 15.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.539 0.609 . . . . 0.0 111.292 179.645 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.79 40.47 0.52 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER 63.68 59.78 1.14 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.665 -0.267 . . . . 0.0 111.416 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.901 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.025 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HB ' HG22 ' A' ' 16' ' ' THR . 73.3 p . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.897 0.38 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -60.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -60.11 -56.26 23.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.433 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.2 t -58.91 -28.67 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -47.08 87.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.62 -36.16 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.424 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -64.47 -61.0 2.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.515 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.11 -21.13 20.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.391 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -57.29 3.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.35 -35.24 80.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.482 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -36.62 64.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.792 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -60.33 -36.97 79.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -38.84 65.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.251 0.548 . . . . 0.0 110.249 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -97.24 -15.89 20.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.194 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 8.0 mt-10 -53.29 -42.56 66.71 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.94 92.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.87 83.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.493 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -26.05 58.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.07 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 m -72.52 -59.59 2.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.429 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -27.05 66.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.07 -25.57 40.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.64 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' C ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -81.17 -48.85 11.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 179.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -56.65 12.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -28.31 68.34 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 -78.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.893 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -163.7 26.91 0.08 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.291 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -86.37 -34.32 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.937 0.399 . . . . 0.0 110.242 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 m -141.83 -21.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.237 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -64.22 0.84 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.919 0.39 . . . . 0.0 110.933 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 1.1 mt -152.51 48.93 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 73.8 Cg_endo -73.97 -24.62 14.96 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.42 2.08 . . . . 0.0 111.64 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . 71.87 28.83 2.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.781 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 49' ' ' LEU . 97.8 t -146.87 -88.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 66.19 98.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 178.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 37.58 -74.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.481 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -39.5 -33.9 0.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.276 0.56 . . . . 0.0 110.439 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.665 ' CB ' HG13 ' A' ' 45' ' ' VAL . 23.9 mt -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.257 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.571 ' HB2' HG12 ' A' ' 45' ' ' VAL . 6.0 ttp180 -96.77 35.73 1.49 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -130.07 -39.03 1.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.05 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.2 pp -56.21 -38.15 70.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.072 0.463 . . . . 0.0 110.498 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.697 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t80 -83.03 -55.1 4.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.481 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' H ' ' A' ' 60' ' ' MET . 0.5 OUTLIER -76.6 19.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -131.83 -18.88 2.67 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.872 178.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 t -45.89 -34.16 3.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.674 0.749 . . . . 0.0 109.166 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.7 t 178.51 32.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.71 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 75.45 42.9 0.21 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 53' ' ' TYR . . . -61.31 -33.09 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.585 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.445 ' H ' ' HA ' ' A' ' 54' ' ' SER . 16.8 mtt -135.66 -0.03 2.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.692 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -79.96 -56.59 4.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 0.0 110.614 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.7 m -95.0 -14.59 24.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.011 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -29.49 65.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.47 -24.92 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.338 0.589 . . . . 0.0 110.012 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.16 -20.39 28.02 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.853 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 27.1 mm -94.29 -12.41 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 CA-C-O 120.813 0.34 . . . . 0.0 111.055 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.619 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.7 OUTLIER -64.13 -54.59 31.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -32.69 69.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -57.48 -30.65 65.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 74' ' ' VAL . 1.1 tp60 -94.9 12.07 29.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.79 HG12 HD23 ' A' ' 75' ' ' LEU . 99.2 t -106.24 -57.91 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.696 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.782 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.78 -37.13 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.17 -9.14 58.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.269 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.437 HG21 ' HG3' ' A' ' 70' ' ' GLN . 60.3 t -116.83 -18.19 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' VAL . 1.8 pp -98.26 -37.99 9.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.088 0.47 . . . . 0.0 109.948 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -115.49 -7.31 12.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.346 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.16 35.9 92.56 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -137.72 -29.8 0.84 Allowed 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.782 ' C ' HD12 ' A' ' 72' ' ' LEU . 2.0 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.537 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 14' ' ' PHE . 1.9 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.554 0.216 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.724 ' H ' HG22 ' A' ' 13' ' ' THR . 0.2 OUTLIER -107.63 -28.74 9.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.814 0.34 . . . . 0.0 111.354 -179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -100.23 -33.45 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.268 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.19 -28.55 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -66.56 -27.44 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.32 -37.36 17.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.18 -60.63 3.16 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.16 0.505 . . . . 0.0 110.313 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.8 -17.57 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.255 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.672 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -82.55 -60.27 2.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -32.36 70.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.658 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 t -67.84 -45.51 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.686 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -69.76 -27.91 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.723 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -33.43 63.63 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.233 0.54 . . . . 0.0 109.686 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -18.58 13.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.782 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -71.41 -38.14 71.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.783 0.325 . . . . 0.0 110.953 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -66.52 -40.15 89.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.158 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -33.17 73.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.22 -24.04 37.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.764 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.3 m -74.84 -58.76 3.08 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.082 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.91 67.66 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.748 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.68 -24.48 38.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.934 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.917 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -73.55 -45.96 50.34 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.563 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.697 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -62.03 -40.45 95.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.784 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -36.57 71.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' O ' ' HB2' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -163.75 -7.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.917 ' HB2' ' HA ' ' A' ' 34' ' ' GLN . 0.8 OUTLIER -77.9 -49.78 13.53 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.055 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.697 ' HD3' ' HA ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -73.24 -37.48 66.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.336 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.59 ' HA ' ' CB ' ' A' ' 44' ' ' ALA . 11.7 m -73.23 -21.64 60.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.294 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -57.98 -39.14 77.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.524 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.586 ' H ' ' HD2' ' A' ' 43' ' ' PRO . 1.1 mt -143.99 -61.2 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.903 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' A' ' 39' ' ' LYS . 61.1 Cg_endo -71.75 62.11 3.02 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.126 1.884 . . . . 0.0 112.41 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' CB ' ' HA ' ' A' ' 40' ' ' THR . . . -155.23 18.01 0.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.483 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -99.99 -40.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.062 0.458 . . . . 0.0 110.03 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -69.62 -41.1 76.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.541 179.34 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 31.1 mt-10 -61.83 -55.59 28.33 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.029 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -36.77 38.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.606 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -85.02 -12.73 52.51 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.875 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 2.5 ptm85 -173.01 97.0 0.12 Allowed 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.939 0.4 . . . . 0.0 111.477 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -163.49 -44.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.474 179.16 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' SER . 0.5 OUTLIER -47.72 -25.72 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 179.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.664 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -79.5 -58.37 3.23 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 121.03 0.443 . . . . 0.0 110.756 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 20.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.252 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -145.76 -50.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.062 178.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 15.9 m -96.07 7.89 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.738 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.664 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 76.7 m -130.7 -29.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.53 -50.61 2.89 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -61.77 -14.34 31.69 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.117 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -38.89 6.29 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.771 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -74.09 -31.96 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.253 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -79.58 -32.55 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -75.9 -31.27 59.11 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -22.93 12.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.318 0.58 . . . . 0.0 109.899 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.81 -20.64 36.25 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.762 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 66' ' ' ILE . 29.7 mm -92.65 -8.46 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -53.54 18.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -62.28 -24.28 67.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.69 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -20.07 2.16 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.04 7.91 28.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.216 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 75' ' ' LEU . 95.1 t -102.33 -47.99 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.675 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.732 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -81.87 -22.41 36.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.5 t -78.64 -7.2 57.39 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.32 -15.51 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 71' ' ' VAL . 4.2 mt -123.48 -17.09 6.61 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.732 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -103.52 -9.77 19.03 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 122.053 -0.404 . . . . 0.0 110.997 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.29 40.86 0.85 Allowed Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.4 tt0 62.26 53.43 2.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.36 . . . . 0.0 111.637 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.719 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 1.1 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.814 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.469 HG22 HD12 ' A' ' 15' ' ' LEU . 15.0 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.617 0.246 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' THR . 34.2 t80 67.06 -15.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD12 HG22 ' A' ' 13' ' ' THR . 10.5 mt -88.13 -18.62 28.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.681 0.277 . . . . 0.0 111.114 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -61.71 -26.03 67.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.01 -49.05 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.052 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.94 -36.78 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.238 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -61.48 -58.47 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.12 0.486 . . . . 0.0 110.27 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.83 -19.7 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.27 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.06 -58.14 3.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.61 -31.65 70.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 m -64.43 -33.11 75.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.399 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.496 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.9 m -66.61 -33.91 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.531 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -33.79 63.73 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.28 0.562 . . . . 0.0 110.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -106.5 -15.45 14.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.063 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.4 OUTLIER -55.73 -41.65 74.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 -179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.983 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.41 78.87 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -28.28 46.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.261 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.1 m -67.56 -47.67 69.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.559 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.96 21.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.225 0.536 . . . . 0.0 110.147 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -32.54 36.98 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 4.7 mt-30 -70.68 -32.91 70.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 3.9 t-20 -59.37 -39.43 83.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.083 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -33.48 13.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.173 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.75 -14.04 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.456 0.909 . . . . 0.0 113.456 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -78.5 -23.75 46.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.616 0.246 . . . . 0.0 111.238 -179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' C ' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -58.95 -19.09 39.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.029 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -125.49 -18.09 5.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.696 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -57.9 -76.16 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.668 0.271 . . . . 0.0 111.528 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.543 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 15.3 mt -149.85 56.15 2.16 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.212 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 53.4 Cg_endo -89.37 -70.45 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.685 2.257 . . . . 0.0 112.661 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.12 57.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.774 0.321 . . . . 0.0 111.786 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 -47.85 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.61 -15.49 60.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.227 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -53.13 6.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -42.17 63.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.2 pp -81.24 -16.62 52.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.134 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.72 57.45 1.68 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.038 0.447 . . . . 0.0 110.795 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -113.06 -54.36 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.027 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.48 -34.86 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -80.03 -56.23 4.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.39 17.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.013 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -119.77 -26.16 5.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 110.542 179.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.31 1.88 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.336 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.3 m -122.78 -29.5 3.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.566 0.222 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.03 -43.25 3.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.439 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -69.17 -9.34 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.502 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -96.89 -36.19 10.66 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.5 OUTLIER -93.24 -36.45 12.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.692 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 66' ' ' ILE . 5.2 m -80.42 -8.48 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -65.12 -31.57 72.83 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.045 0.45 . . . . 0.0 110.275 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.2 p -55.42 -24.65 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.508 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.84 -24.86 24.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.306 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.2 mm -87.15 -6.2 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -45.9 71.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.223 0.535 . . . . 0.0 110.61 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.04 -22.93 66.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.458 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 12.8 m-20 -53.53 -27.16 24.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.837 0.351 . . . . 0.0 111.244 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -90.17 7.53 37.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.732 HG13 HD12 ' A' ' 75' ' ' LEU . 98.3 t -98.8 -46.71 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.315 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.966 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -82.75 -21.99 34.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.996 0.427 . . . . 0.0 109.853 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 5.3 t -70.06 -21.35 63.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.854 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.08 -18.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.982 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.732 HD12 HG13 ' A' ' 71' ' ' VAL . 17.3 mt -114.61 -16.21 11.88 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -107.68 -15.13 14.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 118.446 0.566 . . . . 0.0 111.477 -179.573 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.19 42.39 0.55 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.608 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 13.5 tt0 65.0 57.33 0.98 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 110.999 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.966 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.6 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.789 0.328 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -150.54 -60.98 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -101.25 -36.55 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.318 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.462 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.1 m -63.55 -20.0 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.79 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 21' ' ' SER . 14.1 pt20 -63.75 -14.49 52.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.466 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.63 -36.24 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 0.0 110.869 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -67.09 -63.14 1.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.27 -19.93 50.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.128 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.44 -57.96 3.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.791 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -61.7 -32.01 72.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.171 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -67.12 -36.04 81.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.559 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 70.2 m -61.95 -35.47 78.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.494 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -34.91 60.59 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.341 0.591 . . . . 0.0 109.877 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 1.3 t-105 -101.12 -21.21 15.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.794 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -69.94 -35.93 74.91 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.732 0.301 . . . . 0.0 111.012 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -65.39 -36.96 85.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.47 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.28 86.76 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 26' ' ' TRP . 9.3 mmmm -79.05 -25.33 43.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.807 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -69.42 -54.17 15.71 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.153 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.15 -23.26 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.119 0.485 . . . . 0.0 110.258 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -88.17 -22.16 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.668 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 11.0 mt-30 -83.15 -39.9 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.23 -55.28 37.06 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -23.37 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 35.0 m-85 -105.17 -2.3 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 3.6 mt-10 -141.53 -40.57 0.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 24.3 mmtt -76.28 -57.31 3.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.77 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.814 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . 33.4 m -81.2 -17.49 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 111.219 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.58 -39.9 81.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.761 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 7.4 mt -142.74 -59.19 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 59.4 Cg_endo -71.39 48.94 1.02 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.284 1.989 . . . . 0.0 113.364 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.814 ' HB3' ' HA ' ' A' ' 40' ' ' THR . . . -177.23 25.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.206 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.8 t -142.62 -55.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.797 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -61.75 -40.81 96.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.354 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.63 -55.48 34.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -30.19 45.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.957 0.408 . . . . 0.0 110.249 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 49' ' ' LEU . 12.1 mt -88.07 -21.03 24.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.542 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -110.62 20.73 17.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 15.1 p-10 -72.17 -58.98 2.97 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.311 0.576 . . . . 0.0 110.342 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' H ' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -46.79 -37.14 8.15 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.452 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t80 -70.5 -55.05 9.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.542 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 10.8 p -82.73 16.89 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.166 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -123.28 -19.98 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.507 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.66 -36.96 1.56 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 109.7 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 t -174.8 26.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.105 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.598 ' HB1' ' OG1' ' A' ' 62' ' ' THR . . . 81.27 39.91 0.06 Allowed 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -178.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -56.27 -39.63 72.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.228 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 74.2 mtm -139.2 -0.13 1.86 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.835 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' N ' ' HB2' ' A' ' 54' ' ' SER . 2.9 m -76.89 -31.77 56.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.99 0.424 . . . . 0.0 110.242 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.598 ' OG1' ' HB1' ' A' ' 58' ' ' ALA . 86.2 m -86.06 -16.29 38.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.41 -30.81 68.85 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.051 0.453 . . . . 0.0 110.451 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -53.67 -24.62 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.796 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.11 -25.82 50.72 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.647 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 4.9 mp -95.21 -15.48 7.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.96 0.41 . . . . 0.0 110.75 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -49.0 63.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.732 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -25.46 39.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.028 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 1.2 m-20 -55.91 -22.41 25.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.59 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -101.19 6.88 43.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.366 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.819 HG13 HD12 ' A' ' 75' ' ' LEU . 95.9 t -106.23 -44.65 7.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.0 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -85.6 -25.6 26.58 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 46.8 t -70.83 -17.26 62.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.4 t -123.87 -18.84 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.023 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.819 HD12 HG13 ' A' ' 71' ' ' VAL . 11.8 mt -117.23 -16.18 10.38 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 5.4 mttm -104.06 -16.59 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.417 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.86 41.5 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 65.99 58.02 0.77 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.678 -0.261 . . . . 0.0 111.562 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 72' ' ' LEU . 22.6 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.001 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 ' HB ' HG22 ' A' ' 16' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.726 0.298 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.16 -44.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.762 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.88 -51.18 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.414 HG22 ' HB ' ' A' ' 13' ' ' THR . 4.5 t -61.43 -24.42 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.9 tp60 -55.6 -43.64 76.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.39 -39.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.457 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -59.31 5.41 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 110.309 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.42 -18.68 41.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.145 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.24 -57.7 3.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.432 179.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -39.52 93.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.022 179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 m -65.31 -33.63 76.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.9 m -70.71 -31.44 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.308 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -35.14 62.94 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.199 0.523 . . . . 0.0 109.885 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -106.34 -15.88 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.899 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 9.5 tp10 -58.42 -43.85 88.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.686 0.279 . . . . 0.0 111.062 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.8 t -61.31 -37.97 85.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 110.37 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.96 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.7 -28.32 50.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.714 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.7 m -71.92 -58.56 3.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.318 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -22.38 48.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.07 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.3 -30.1 54.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.34 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.413 ' ND2' ' HG3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.269 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -29.36 69.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.514 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.45 -3.32 40.27 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -139.77 -55.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.474 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' ND2' ' A' ' 35' ' ' ASN . 6.4 mmtp -72.66 -2.11 18.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -125.63 -11.93 6.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.635 0.255 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.638 ' HB3' ' HD2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.38 -159.75 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.632 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.66 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.4 mt -51.08 -52.07 61.89 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.163 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 41' ' ' TYR . 42.5 Cg_endo -68.18 19.62 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.466 2.111 . . . . 0.0 113.714 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 42' ' ' LEU . . . -133.48 11.81 4.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.754 0.312 . . . . 0.0 111.259 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 42' ' ' LEU . 38.5 t -74.74 -33.42 31.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.022 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -24.97 48.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 51.9 mt-10 -76.37 -53.69 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -50.99 -33.18 23.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.962 0.411 . . . . 0.0 110.398 179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -92.7 -15.79 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.164 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -147.69 81.42 1.51 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.278 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.586 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -157.22 -49.27 0.07 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.867 179.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.4 pp -42.37 -32.01 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.04 0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.734 ' O ' HG22 ' A' ' 57' ' ' THR . 1.9 t80 -82.44 -56.07 4.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.962 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 m -77.28 12.72 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.319 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.79 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 tttm -122.23 -9.92 8.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.698 0.285 . . . . 0.0 110.865 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.465 ' C ' ' HG2' ' A' ' 60' ' ' MET . 0.5 OUTLIER -119.12 3.71 11.4 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.3 t -122.22 -19.4 6.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -138.79 -46.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.563 0.221 . . . . 0.0 111.46 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -64.08 -12.81 42.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.405 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.465 ' HG2' ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -100.18 -37.62 8.85 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.094 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -32.33 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.397 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 66' ' ' ILE . 41.4 m -81.0 -23.54 38.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -32.43 72.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 110.412 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -53.59 -26.58 22.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.41 0.624 . . . . 0.0 109.603 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.06 -25.74 23.63 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.365 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 66' ' ' ILE . 33.8 mm -86.72 -8.53 11.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.755 0.312 . . . . 0.0 111.076 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -48.4 81.86 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.658 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -27.28 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.576 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 73' ' ' SER . 0.3 OUTLIER -58.67 -19.02 35.74 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' OE1' HG22 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -104.22 10.28 35.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.171 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' O ' HD12 ' A' ' 75' ' ' LEU . 75.2 t -98.92 -43.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.233 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.61 HD12 ' HB2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -92.03 -20.39 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.162 0.506 . . . . 0.0 109.677 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -83.27 -10.92 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 t -125.37 -17.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 71' ' ' VAL . 1.3 mt -124.5 -12.89 7.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 5.0 mttt -108.14 -11.25 15.3 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.353 -0.539 . . . . 0.0 112.046 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.76 40.12 0.58 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.78 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 1.8 tp10 59.71 57.56 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.562 0.22 . . . . 0.0 111.578 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.61 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.5 mm-40 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.924 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.766 0.317 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.43 -37.69 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.24 -34.31 56.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.059 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -67.73 -17.28 64.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -77.4 -11.12 59.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.361 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.9 -36.96 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -62.0 1.81 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.149 0.499 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.21 -20.41 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.359 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -77.36 -58.04 3.5 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mt -62.57 -34.35 76.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.384 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.67 -37.57 70.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.818 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.431 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 14.6 m -64.59 -33.65 76.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.637 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.74 -35.55 66.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -18.52 17.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.77 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 31.7 tt0 -60.0 -32.97 71.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.064 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -43.2 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.38 . . . . 0.0 110.324 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -34.36 77.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -23.13 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.201 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 m -69.67 -55.81 8.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.56 -24.13 54.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.156 0.503 . . . . 0.0 110.231 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.36 -36.73 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.067 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.87 -31.98 73.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.692 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -56.96 -57.52 12.18 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.69 -26.44 54.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.93 -1.41 42.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.529 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -144.0 -62.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.833 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mtpt -56.33 -44.27 79.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.232 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 m -79.42 -28.95 41.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -27.68 68.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -64.93 162.18 40.28 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.633 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 45' ' ' VAL . 72.9 Cg_endo -76.67 46.87 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.558 2.172 . . . . 0.0 113.288 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.37 56.93 7.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.85 0.357 . . . . 0.0 111.669 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HB3' ' A' ' 50' ' ' ARG . 32.5 t -92.94 -58.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -83.72 3.13 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -77.45 46.23 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.61 24.12 0.73 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.969 0.414 . . . . 0.0 110.751 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.61 -35.87 4.1 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' HG13 ' A' ' 45' ' ' VAL . 2.8 ttt-85 -131.75 10.6 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.664 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -48.99 79.29 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.69 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 53' ' ' TYR . 2.7 pp -48.44 -33.7 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.3 t80 -69.14 -55.44 10.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.647 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.904 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 8.6 t -82.59 16.24 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.838 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.8 tppt? -113.2 -24.8 9.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.851 0.358 . . . . 0.0 110.402 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.5 m -103.55 -28.22 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.43 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.2 p -101.9 -28.78 12.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.904 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -91.8 -42.35 10.14 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.738 0.304 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.34 -14.5 62.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.41 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.4 mtt -100.11 -32.77 10.76 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.301 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -78.91 -21.6 47.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 62' ' ' THR . 60.5 m -80.46 2.22 26.05 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.393 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.45 67.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.048 0.452 . . . . 0.0 110.55 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.7 p -52.11 -25.99 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.949 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.9 -24.46 29.91 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.69 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mm -91.25 -9.83 10.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 111.062 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -46.35 74.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.63 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.773 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.03 -31.62 63.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.4 tp60 -89.03 -2.35 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.755 HG12 HD11 ' A' ' 75' ' ' LEU . 57.4 t -99.69 -66.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -51.07 -29.97 14.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.967 0.413 . . . . 0.0 110.418 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.518 ' HA ' ' H ' ' A' ' 78' ' ' GLU . 6.0 m -70.66 -27.64 64.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.997 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.2 t -101.97 -20.43 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.985 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.755 HD11 HG12 ' A' ' 71' ' ' VAL . 90.6 mt -68.4 -46.84 68.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.804 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 -67.6 0.56 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.283 0.563 . . . . 0.0 111.284 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.69 51.68 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.964 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' H ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 79.62 63.14 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 110.801 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.572 ' C ' HD13 ' A' ' 72' ' ' LEU . 5.1 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.013 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.933 0.396 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -91.39 -37.91 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.331 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.31 -43.46 4.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.56 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -51.23 -34.92 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.7 0.286 . . . . 0.0 111.349 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -7.2 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.403 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -112.12 -36.47 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.924 0.392 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.26 -21.11 47.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.134 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -57.08 4.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.335 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.055 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -70.92 -43.95 67.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 39.2 m -65.08 -32.27 73.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.194 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -35.55 70.71 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.315 0.579 . . . . 0.0 109.684 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -97.22 -18.97 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.522 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -67.67 -38.16 83.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.984 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.84 -38.21 90.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.324 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.57 81.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -24.08 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.332 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 80.8 m -72.99 -43.78 61.82 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.35 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.13 0.491 . . . . 0.0 110.229 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.73 23.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.721 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.43 -45.73 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 111.333 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -55.06 -16.76 3.15 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.394 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -125.56 -75.06 0.59 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.226 0.536 . . . . 0.0 112.153 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.75 -41.98 57.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.153 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 35' ' ' ASN . 12.3 tptm -65.85 -15.38 62.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 39' ' ' LYS . 0.4 OUTLIER 78.82 -36.4 0.18 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -21.04 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -179.319 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 36' ' ' LEU . 8.5 mt -58.27 170.96 0.64 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.677 0.275 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 42' ' ' LEU . 51.3 Cg_exo -54.83 -6.13 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.905 2.403 . . . . 0.0 113.686 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.35 15.39 2.02 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 42' ' ' LEU . 19.4 t -56.69 -41.56 74.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.869 0.366 . . . . 0.0 111.336 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.02 -30.18 71.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 5.4 mm-40 -79.12 -48.82 13.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -36.91 22.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.117 0.484 . . . . 0.0 110.427 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -18.54 22.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.367 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -137.97 83.34 1.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.006 0.431 . . . . 0.0 111.717 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -177.59 -44.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.641 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -30.75 2.05 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.052 0.453 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -64.96 -56.6 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.593 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 57' ' ' THR . 13.1 m -86.06 14.97 5.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.89 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -113.3 -28.32 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 0.0 110.655 179.315 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 76.6 p -107.07 8.21 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 53' ' ' TYR . 7.4 t -123.85 -22.57 4.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.07 -46.0 0.71 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 111.581 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -56.42 -19.03 13.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.662 0.268 . . . . 0.0 111.144 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.6 OUTLIER -120.87 -34.35 3.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 111.136 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.504 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.4 -25.52 36.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.016 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.9 m -91.03 8.32 35.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.222 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.41 -30.41 63.23 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.922 0.391 . . . . 0.0 110.586 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -54.02 -22.58 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.056 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.26 -21.66 60.24 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.71 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' THR . 4.6 mp -101.66 -23.89 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-O 121.241 0.543 . . . . 0.0 110.447 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -49.1 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.309 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -24.64 51.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.616 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 73' ' ' SER . 0.4 OUTLIER -60.58 -13.81 16.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.644 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 9.75 22.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.543 0.211 . . . . 0.0 111.472 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.746 HG12 ' CD2' ' A' ' 75' ' ' LEU . 46.2 t -100.26 -65.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.175 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -73.64 -28.39 61.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.717 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 7.4 t -66.75 -22.08 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.79 -22.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.746 ' CD2' HG12 ' A' ' 71' ' ' VAL . 1.5 pp -98.56 -22.88 15.74 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.056 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -106.68 -8.7 16.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.734 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.49 44.45 2.73 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.717 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER 77.14 61.04 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.431 -0.384 . . . . 0.0 111.284 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.7 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.99 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.983 0.421 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -152.25 -51.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.38 -31.47 69.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.712 179.711 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -54.24 -24.92 20.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.243 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -38.86 73.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.804 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.46 -35.84 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 -60.97 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.656 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.7 -21.7 19.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.356 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -58.47 3.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.797 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -26.69 68.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.473 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -69.46 -32.2 70.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.676 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.1 m -65.13 -36.18 83.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.312 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -36.84 74.75 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.696 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -93.48 -16.07 24.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.918 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.9 tt0 -57.62 -38.75 75.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.184 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -42.34 95.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.223 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.46 74.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -79.02 -25.25 43.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.223 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.1 m -61.92 -40.19 94.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.31 -21.81 16.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.04 -37.18 22.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.268 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.31 -34.04 77.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 1.6 t-20 -52.59 -60.7 2.93 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -22.54 64.41 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.031 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -69.96 -71.69 0.23 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.881 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.674 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -148.6 -1.34 0.52 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.52 -179.096 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 6.1 mtpt -73.53 -41.02 63.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.329 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -89.09 -33.75 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.694 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -29.21 32.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.227 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.867 HD22 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -81.04 166.73 36.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.603 ' HD2' HD23 ' A' ' 42' ' ' LEU . 63.1 Cg_endo -74.39 50.13 2.23 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.53 2.153 . . . . 0.0 113.583 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 43.86 48.63 7.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.761 ' HB ' HD23 ' A' ' 49' ' ' LEU . 8.4 t -75.21 -67.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 5.7 m-20 73.6 104.39 0.07 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.094 0.473 . . . . 0.0 110.979 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 17.4 mt-10 84.73 -62.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.203 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -51.92 -45.61 64.32 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.867 HD22 HD22 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -78.86 -27.8 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.742 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.44 26.93 3.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -104.49 -46.64 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.443 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -33.79 30.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.805 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -92.34 -53.17 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.341 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.98 25.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.34 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -144.59 -40.74 0.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.693 179.329 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -92.39 -19.54 21.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.2 m -113.78 -28.0 7.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.274 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.65 -46.39 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.452 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.27 2.25 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.235 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.61 -33.57 2.75 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.587 0.232 . . . . 0.0 111.502 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -11.12 21.22 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -106.78 -11.93 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.73 -29.74 64.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -24.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.186 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.21 -23.85 55.98 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.984 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.3 mp -103.44 -15.51 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 CA-C-O 120.991 0.424 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.681 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.56 -48.36 55.7 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -27.74 46.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.46 -25.46 59.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.283 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.86 16.54 23.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.195 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.689 ' CG1' HD21 ' A' ' 75' ' ' LEU . 85.5 t -108.39 -64.19 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.753 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.53 -31.97 70.51 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.638 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.9 OUTLIER -69.94 -13.27 62.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.255 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.9 t -121.16 -21.4 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.689 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.8 pp -126.87 -10.79 6.05 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.99 -12.09 18.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.421 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.5 40.52 0.93 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 5.3 tt0 64.89 61.35 0.79 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.494 -0.353 . . . . 0.0 111.389 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HG2' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.841 0.353 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.78 -59.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.8 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -29.65 69.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.514 HG22 ' HG3' ' A' ' 20' ' ' GLU . 4.3 m -60.62 -18.87 55.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.591 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -57.82 -58.66 7.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 t -55.3 -35.32 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.101 0.477 . . . . 0.0 110.769 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.53 -60.76 2.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 16' ' ' THR . 13.9 mt-10 -56.28 -21.27 22.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.349 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -58.04 3.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.822 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -31.0 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.456 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -35.87 62.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 5.1 m -61.98 -35.66 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -39.01 66.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.984 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -96.94 -16.26 20.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.798 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 2.8 tm-20 -67.94 -27.72 66.86 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.408 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -65.85 -45.7 81.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.612 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.08 79.52 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -76.19 -19.25 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.393 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 28' ' ' SER . 86.0 m -62.78 -41.11 99.11 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.791 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.92 -20.1 34.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.977 0.418 . . . . 0.0 110.562 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 42' ' ' LEU . . . -85.57 -29.49 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.198 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -66.08 -27.41 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.862 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.01 -47.31 21.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.309 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.85 -30.66 59.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' CE1' HD22 ' A' ' 36' ' ' LEU . 69.6 m-85 -146.9 0.95 0.76 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.07 0.766 . . . . 0.0 113.07 -178.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 3.1 tt0 73.01 30.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.507 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER 52.47 21.49 1.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.393 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -61.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.34 . . . . 0.0 111.526 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -21.4 19.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.544 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -74.86 -62.55 0.88 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.594 -179.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 50.0 Cg_exo -33.06 -71.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.304 2.67 . . . . 0.0 113.376 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 178.18 76.97 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.12 -68.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 5.8 t70 -75.52 -24.2 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -77.68 -52.62 8.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.964 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -33.8 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.275 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -86.46 -17.02 35.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.73 179.359 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -154.3 91.6 1.44 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.84 0.353 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -146.32 -57.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.728 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.97 -30.2 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.0 110.766 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.8 t80 -87.97 -54.97 3.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.36 30.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.124 -178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 ttpm? -151.35 -46.08 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 -8.87 59.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.116 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 90.9 m -117.15 -33.89 4.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.05 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.12 -54.38 2.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.558 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -65.48 -8.88 21.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 mmm -87.71 -51.44 5.87 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.798 0.333 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -86.52 -23.92 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.265 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.3 m -85.65 -8.8 58.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.692 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -71.18 -31.89 68.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.918 0.389 . . . . 0.0 110.738 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -22.15 27.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.939 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -95.59 -19.1 30.65 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.88 -14.59 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-O 120.92 0.39 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.98 -63.07 1.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.057 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.08 -25.23 61.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.21 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -24.79 21.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.364 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.31 11.09 37.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.189 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.626 HG13 HD12 ' A' ' 75' ' ' LEU . 98.7 t -107.13 -40.51 5.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.308 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -93.72 -19.47 21.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.568 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 36.3 t -77.63 -18.63 56.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.722 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.65 -18.4 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD12 HG13 ' A' ' 71' ' ' VAL . 10.3 mt -115.34 -15.21 11.59 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 7.4 mmtt -106.73 -11.59 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.389 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.41 1.04 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.241 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 17.3 tt0 64.6 57.11 1.13 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.707 0.289 . . . . 0.0 110.988 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.613 ' HB3' HD12 ' A' ' 72' ' ' LEU . 3.8 tt0 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.95 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.921 0.391 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -58.71 3.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.675 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -55.26 -49.37 72.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -55.2 -33.75 63.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 21' ' ' SER . 10.4 tt0 -66.75 -19.44 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.999 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.79 -36.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.943 0.402 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -66.22 -62.42 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.385 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.23 -20.71 44.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.12 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.07 -56.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -38.78 90.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.141 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.71 -35.3 80.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.23 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 27' ' ' GLU . 28.4 m -64.45 -34.27 77.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.374 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -37.73 50.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.262 0.553 . . . . 0.0 109.815 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -98.52 -21.36 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.46 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 4.1 tp10 -72.93 -34.52 66.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.383 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -64.62 -38.39 90.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.405 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.85 86.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.05 -25.24 40.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.15 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.8 m -63.53 -38.24 90.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.538 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.96 -21.0 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.313 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.19 -33.17 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 4.9 tt0 -75.92 -28.45 58.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.37 0.605 . . . . 0.0 110.84 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.71 -47.7 16.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.046 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -29.7 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.759 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -155.89 7.57 0.23 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 67.98 34.72 4.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.845 0.355 . . . . 0.0 110.705 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' N ' ' HA ' ' A' ' 34' ' ' GLN . 4.6 mttm 58.52 18.08 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.45 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.43 ' C ' ' HD2' ' A' ' 43' ' ' PRO . 55.8 m -90.99 -8.1 50.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -21.17 64.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.026 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -82.26 -53.07 0.69 Allowed Pre-proline 0 C--N 1.331 -0.216 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.446 -179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 10.3 Cg_exo -71.93 -6.34 18.91 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.524 2.149 . . . . 0.0 112.699 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 47' ' ' GLU . . . -117.49 47.53 1.51 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.11 -39.23 57.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.445 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -64.57 -24.98 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 14.5 mt-10 -84.58 -43.7 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -41.5 66.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 109.954 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD12 ' HE ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -84.19 -20.54 32.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.608 179.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HE ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -126.12 68.49 1.2 Allowed 'General case' 0 C--O 1.23 0.072 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.861 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.2 m-20 -144.45 -48.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.9 -36.83 28.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -71.44 -55.92 6.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.209 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 p -82.94 16.48 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.296 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.73 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 22.7 tptp -116.31 -26.68 7.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.903 0.382 . . . . 0.0 110.429 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.3 p -108.3 -19.54 13.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.6 m -105.74 -16.54 14.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.185 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.77 -37.96 3.35 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.771 0.319 . . . . 0.0 111.332 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.47 5.47 31.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.8 mtt -125.84 -42.24 1.92 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -27.0 53.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -85.68 4.53 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.383 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -30.46 62.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.966 0.412 . . . . 0.0 110.849 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -52.93 -25.34 11.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.42 -22.08 32.86 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.707 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mm -92.6 -12.49 8.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -56.25 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.436 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -70.34 -25.92 63.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.169 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -57.81 -32.63 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.189 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -92.43 6.13 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG13 HD12 ' A' ' 75' ' ' LEU . 83.5 t -93.12 -40.94 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.769 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.27 -25.07 18.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 10.8 t -76.84 -15.28 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.984 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 74' ' ' VAL . 23.2 t -125.18 -16.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.611 HD12 HG13 ' A' ' 71' ' ' VAL . 4.7 mt -122.99 -7.78 8.35 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.493 0.924 . . . . 0.0 113.493 -178.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 4.9 mptt -114.59 -10.51 12.51 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.962 -0.461 . . . . 0.0 111.464 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 112.71 51.36 0.53 Allowed Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.9 pt-20 51.87 58.26 5.65 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.821 0.343 . . . . 0.0 111.781 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' N ' ' HA ' ' A' ' 73' ' ' SER . 6.2 tt0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.35 -46.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.587 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -43.18 97.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.2 m -54.66 -24.24 20.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.234 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 21' ' ' SER . 2.0 mt-30 -63.25 -49.0 75.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.604 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.95 -34.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -64.64 -61.61 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.423 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -59.29 -21.58 59.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.31 -56.22 4.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.863 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -32.17 73.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.509 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -71.15 -39.83 71.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 73.8 m -64.43 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.582 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -35.52 68.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -99.89 -17.89 17.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.837 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 6.3 tt0 -69.67 -38.8 77.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -39.84 94.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.337 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.89 78.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -23.87 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.172 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.0 m -75.92 -56.45 4.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.328 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -23.24 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.32 -23.28 24.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.866 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 mt-30 -84.01 -37.48 22.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.71 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -56.48 -56.02 26.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.978 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -27.99 68.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.996 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.28 -4.16 39.27 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLN . 4.8 mm-40 -139.55 -64.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 111.758 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 35' ' ' ASN . 28.0 mmtt -53.92 -42.83 69.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.337 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -85.38 -35.69 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.224 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -66.87 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.428 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.01 161.23 71.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.208 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.44 64.13 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.979 2.453 . . . . 0.0 112.703 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.55 27.98 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.559 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.5 t -75.48 -28.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.043 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -38.84 92.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.627 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.64 -48.49 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -50.58 -33.72 23.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.093 0.473 . . . . 0.0 110.249 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.12 -22.81 18.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.949 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.46 8.4 44.69 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.611 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -82.76 -48.72 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.624 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.3 -34.34 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.093 0.473 . . . . 0.0 110.741 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.49 -54.6 6.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.3 21.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.422 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.679 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 tmtm? -133.92 -35.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.6 m -98.1 -17.14 19.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.8 m -111.72 -23.78 10.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.281 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.29 -43.29 4.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.65 0.262 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -81.55 1.65 32.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 64' ' ' THR . 97.6 mmm -119.55 -36.79 3.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.846 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 t -83.33 -14.49 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -67.75 -39.34 84.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -31.41 53.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.32 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' MET . 72.3 p -53.66 -24.69 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 109.928 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.16 -23.27 63.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.586 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.3 mp -103.16 -13.99 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -49.06 44.69 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.691 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -24.23 48.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.89 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -58.26 -27.96 64.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.294 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.6 pt20 -93.81 1.25 56.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.502 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.805 HG12 ' CD1' ' A' ' 75' ' ' LEU . 89.6 t -98.3 -70.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.601 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -51.34 -28.21 11.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.122 0.487 . . . . 0.0 110.284 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.514 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 1.5 m -70.75 -29.12 65.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.853 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 70' ' ' GLN . 25.3 t -101.97 -20.39 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.805 ' CD1' HG12 ' A' ' 71' ' ' VAL . 85.3 mt -68.14 -47.7 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.75 -68.01 0.55 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.37 0.605 . . . . 0.0 111.238 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -179.15 50.81 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.92 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' N ' ' HA ' ' A' ' 73' ' ' SER . 11.5 tt0 79.72 56.95 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.198 0.523 . . . . 0.0 110.26 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 7.1 tt0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.857 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 16' ' ' THR . 33.9 p . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.966 0.412 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -91.72 -33.83 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.66 -41.27 97.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.358 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 13' ' ' THR . 5.2 t -48.57 -27.58 2.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.595 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -57.12 -39.12 74.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.5 -35.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.5 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -61.32 -60.26 4.0 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.1 -20.37 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.04 3.51 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.825 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -32.09 73.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.332 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.4 m -65.09 -33.96 77.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -37.42 69.4 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.307 0.575 . . . . 0.0 109.738 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -94.23 -20.25 19.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.522 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -66.35 -39.55 89.26 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -38.11 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.366 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.89 81.23 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -26.93 51.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.339 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -67.07 -43.99 81.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.92 18.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.266 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.83 -35.07 38.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.28 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -45.81 54.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.01 -48.1 70.81 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.272 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tp -51.6 -35.96 43.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.272 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -78.19 -46.32 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.282 0.563 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 169.11 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.51 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.63 -5.07 2.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' ' 43' ' ' PRO . 9.4 m -129.71 -12.41 4.31 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.155 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -75.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 42' ' ' LEU . 2.4 pp -125.48 44.48 1.15 Allowed Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 60.7 Cg_endo -75.88 -90.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 121.99 1.793 . . . . 0.0 112.276 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -156.55 33.25 0.32 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.832 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG12 HD12 ' A' ' 49' ' ' LEU . 23.4 t -128.92 -41.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.304 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -46.84 69.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.53 -46.1 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.744 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -28.02 19.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.411 HD12 HG12 ' A' ' 45' ' ' VAL . 12.2 mt -97.83 -23.42 15.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.77 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 ttp85 -112.89 30.98 6.73 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.31 -48.74 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.408 . . . . 0.0 110.72 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -51.88 -25.51 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.963 179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -92.86 -57.35 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.7 m -90.94 32.0 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.035 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.15 -43.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 52' ' ' LEU . 26.8 m -91.2 -2.86 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.638 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -123.55 -37.26 2.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.773 0.321 . . . . 0.0 110.912 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.57 -51.63 4.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.73 -10.16 50.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -38.55 18.39 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.091 0.472 . . . . 0.0 110.268 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -27.98 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.63 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -72.52 -21.48 61.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -30.63 69.36 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.028 0.442 . . . . 0.0 110.415 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.1 p -54.16 -25.22 21.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.714 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.23 -20.28 30.67 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.732 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.2 mm -93.27 -13.89 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-O 120.803 0.335 . . . . 0.0 110.974 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -51.64 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -24.46 53.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -53.75 -26.05 21.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.295 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -93.46 6.55 47.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.246 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.621 HG13 HD12 ' A' ' 75' ' ' LEU . 58.8 t -98.85 -43.59 11.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.825 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -89.48 -23.81 21.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 45.1 t -72.1 -19.17 61.84 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.9 t -123.09 -19.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 71' ' ' VAL . 11.5 mt -114.52 -15.01 12.08 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 8.0 mmtm -106.59 -12.56 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.283 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.02 43.54 1.0 Allowed Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 3.3 tt0 66.4 54.77 0.88 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.723 0.297 . . . . 0.0 110.792 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.825 ' C ' HD12 ' A' ' 72' ' ' LEU . 58.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 2.0 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -76.66 -39.23 52.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mt -95.52 -50.69 4.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -29.13 3.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.688 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -66.66 -24.87 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.218 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.93 -36.63 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 111.485 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -63.94 -61.24 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -56.26 -20.52 18.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.28 -57.65 3.67 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.076 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.55 -33.92 75.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -68.25 -34.98 77.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.787 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 m -65.31 -34.1 77.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -40.36 66.72 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.196 0.522 . . . . 0.0 109.827 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -92.44 -20.31 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.504 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -73.42 -36.41 65.96 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.764 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.58 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.26 -21.76 31.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.298 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 m -75.75 -48.68 20.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.524 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.8 -23.2 51.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.05 -27.65 21.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.625 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -35.59 40.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -54.13 -59.38 4.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.504 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -27.8 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.401 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -91.36 -2.59 57.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.237 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.838 ' O ' HD12 ' A' ' 42' ' ' LEU . 58.6 mm-40 -149.67 -58.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' ASN . 25.2 mmtp -55.41 -46.23 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.246 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 m -80.28 -32.83 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.85 -28.5 61.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.838 HD12 ' O ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -124.25 127.96 25.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.29 87.12 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.428 2.085 . . . . 0.0 112.656 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.96 41.55 27.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.465 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 32.9 t -98.08 -17.55 6.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.406 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.65 -41.34 61.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.723 0.297 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.73 -47.06 82.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -49.67 -32.43 13.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.0 109.996 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mt -87.11 -30.47 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.205 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -100.97 28.18 5.46 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -39.51 9.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 53' ' ' TYR . 4.1 pp -51.97 -37.45 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.965 0.412 . . . . 0.0 110.784 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' LEU . 2.8 t80 -59.66 -56.49 21.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.751 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.586 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 27.0 t -86.22 17.36 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.79 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.2 mtpp -116.72 -30.87 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.901 0.382 . . . . 0.0 110.471 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -106.3 -24.88 12.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.396 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 m -99.88 -25.76 14.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -96.0 -38.27 10.3 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -62.7 -18.3 62.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.766 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -103.07 -34.11 9.01 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.053 0.454 . . . . 0.0 110.865 179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 60' ' ' MET . 12.0 t -79.56 -33.89 41.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -72.21 -27.05 62.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.749 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -31.13 66.2 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -54.39 -24.12 18.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.921 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.5 29.46 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.608 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 mm -89.58 -13.02 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.952 0.406 . . . . 0.0 110.991 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -48.3 79.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -53.32 -28.32 27.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.68 10.83 35.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.698 ' CG1' HD21 ' A' ' 75' ' ' LEU . 83.8 t -104.26 -58.39 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.032 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -73.32 -28.58 62.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.251 0.548 . . . . 0.0 109.545 179.287 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 25.7 t -69.36 -13.28 62.29 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.977 179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 t -122.73 -22.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.698 HD21 ' CG1' ' A' ' 71' ' ' VAL . 1.9 pp -125.45 -4.14 7.27 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -112.84 -10.67 13.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 118.555 0.616 . . . . 0.0 111.527 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' GLU . . . 114.74 50.54 0.48 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 4.3 pt-20 52.3 58.23 5.63 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.471 -0.364 . . . . 0.0 111.71 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.742 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.9 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.72 0.295 . . . . 0.0 111.419 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' A' ' 13' ' ' THR . 84.4 t80 67.46 -17.01 0.15 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.159 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -82.59 -47.77 11.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.972 0.415 . . . . 0.0 110.327 179.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -64.36 -26.36 68.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.911 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.7 mm-40 -65.26 -34.07 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 22' ' ' LEU . 22.4 t -68.71 -39.75 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -59.24 5.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.177 0.513 . . . . 0.0 110.508 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.4 -18.55 28.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.526 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.07 -58.04 3.47 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 18' ' ' VAL . 1.7 mt -64.86 -33.67 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.148 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' GLU . 38.5 t -72.09 -40.99 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.426 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.2 m -60.1 -34.2 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.726 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -38.8 61.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.145 0.497 . . . . 0.0 109.961 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -101.31 -16.33 16.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.776 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 3.7 tt0 -74.36 -35.83 63.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.636 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -65.29 -41.41 94.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.179 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.1 79.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -77.69 -27.02 50.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.151 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 m -63.49 -44.16 95.18 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.719 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.94 36.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.079 0.466 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.4 -35.28 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.497 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.554 ' HB3' ' HB2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.57 -49.39 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.091 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -49.01 68.33 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.365 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -34.79 71.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.38 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.13 -76.27 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.18 0.514 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.45 39.33 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -96.93 -42.16 8.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.986 0.422 . . . . 0.0 110.732 -179.398 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 m -104.23 -26.77 12.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.122 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -49.2 160.33 0.23 Allowed 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.42 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD23 ' HB ' ' A' ' 45' ' ' VAL . 3.9 mp 50.73 86.0 0.17 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -40.91 89.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.133 2.555 . . . . 0.0 113.374 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 49.17 25.87 1.31 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.924 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' HB ' HD23 ' A' ' 42' ' ' LEU . 12.3 t -76.85 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.25 7.39 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.626 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.719 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -103.82 -56.64 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.198 0.523 . . . . 0.0 110.361 179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -21.43 65.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.646 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -104.39 -13.27 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.281 179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.31 77.87 0.23 Allowed 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 120.054 -0.658 . . . . 0.0 112.588 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.719 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 5.6 m-20 175.41 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp -47.55 -29.69 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.967 0.413 . . . . 0.0 110.708 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.83 -53.64 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.848 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.72 18.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -131.49 -31.33 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 178.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -100.83 -20.1 15.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.292 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 6.5 p -111.22 -16.65 13.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.659 0.266 . . . . 0.0 111.2 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -112.07 -40.59 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -88.34 6.6 36.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.671 179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 mtp -148.26 -29.66 0.3 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -106.45 19.15 20.93 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.539 -179.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 63.3 m -136.33 -34.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.501 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -33.13 73.8 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.0 110.383 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.0 p -55.52 -23.04 24.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.746 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.46 -24.09 22.33 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.81 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 62' ' ' THR . 23.5 mm -88.3 -14.83 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-O 121.131 0.491 . . . . 0.0 110.962 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -50.15 75.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.604 HG22 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -64.02 -24.34 67.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.855 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -56.46 -23.49 39.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.265 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.74 22.31 15.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.518 ' O ' HD23 ' A' ' 75' ' ' LEU . 89.7 t -116.15 -55.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.608 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -76.47 -34.04 58.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.947 179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.517 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.73 -13.0 59.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 0.0 109.893 178.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -106.48 -20.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.26 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 71' ' ' VAL . 1.6 pp -99.03 -43.56 6.63 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.837 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -3.31 7.3 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.037 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 67.23 42.44 90.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.578 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 4.9 mm-40 -130.55 -9.42 4.08 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.608 ' C ' HD12 ' A' ' 72' ' ' LEU . 5.2 pt-20 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.541 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.717 ' O ' HG22 ' A' ' 16' ' ' THR . 81.3 p . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 121.003 0.43 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.64 -33.03 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.441 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.293 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 13' ' ' THR . 11.8 t -70.91 -17.89 62.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.0 OUTLIER -67.66 -21.63 65.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.082 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -98.07 -37.2 6.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -65.34 -61.44 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.166 0.508 . . . . 0.0 110.478 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.65 -20.07 30.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.343 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.01 -58.84 3.04 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.51 179.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -33.81 76.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.184 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.26 -33.98 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.8 m -63.91 -35.25 80.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.679 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -37.12 65.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.15 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -101.82 -14.99 17.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.101 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 5.0 tm-20 -60.92 -35.06 75.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 0.0 110.696 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -65.77 -41.81 91.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.026 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.18 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -78.69 -26.54 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.199 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.3 m -68.21 -51.36 46.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.512 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.74 -24.17 14.08 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.305 0.574 . . . . 0.0 110.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -80.25 -40.64 26.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.065 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.619 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 1.2 mt-30 -60.86 -32.42 71.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.474 0.654 . . . . 0.0 110.436 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.512 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -56.23 -58.62 7.19 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.428 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -24.98 26.29 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 15.3 m-85 -105.61 -3.53 22.17 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 14.3 mm-40 -130.73 -71.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.626 -0.43 . . . . 0.0 112.102 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 35' ' ' ASN . 9.5 pttt -61.7 -45.89 92.02 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.403 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.8 m -72.8 -27.08 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.33 . . . . 0.0 111.129 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -23.33 67.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.176 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 ' CB ' ' A' ' 46' ' ' ASP . 1.9 mt -132.69 162.28 58.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.602 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.863 ' O ' HG23 ' A' ' 45' ' ' VAL . 60.6 Cg_endo -73.14 47.19 1.25 Allowed 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.418 2.079 . . . . 0.0 113.164 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.72 37.39 2.22 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 43' ' ' PRO . 38.8 t -120.75 -29.97 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' CB ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -61.39 -28.49 69.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.281 -179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 50' ' ' ARG . 4.2 pt-20 -77.58 -43.68 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.068 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -56.04 -35.52 66.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.107 0.479 . . . . 0.0 109.929 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.87 -21.08 25.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.917 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 7.4 mmm180 -84.41 -13.65 51.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.71 0.29 . . . . 0.0 111.255 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -69.54 -46.76 65.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.933 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -46.49 -31.16 2.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.002 0.43 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 57' ' ' THR . 1.3 t80 -76.93 -56.35 4.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' HG22 ' A' ' 57' ' ' THR . 58.6 m -77.43 10.34 2.62 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.83 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -115.07 -21.92 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.742 0.306 . . . . 0.0 110.798 179.162 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 60' ' ' MET . 21.5 m -111.25 8.32 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -120.34 -22.37 6.55 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.96 -45.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.664 0.268 . . . . 0.0 111.708 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.83 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -62.09 -14.09 33.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.361 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.575 ' HG3' ' N ' ' A' ' 61' ' ' SER . 1.3 ptm -109.54 -35.59 6.19 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.901 0.382 . . . . 0.0 111.035 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.575 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -74.41 -28.33 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.442 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.7 m -87.83 -34.56 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.25 -32.06 49.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.459 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER -53.34 -25.09 13.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.286 0.565 . . . . 0.0 110.014 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.28 -21.45 29.74 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.009 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.4 mm -94.2 -18.22 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 CA-C-O 121.045 0.45 . . . . 0.0 111.104 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.83 -60.68 2.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.735 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -26.16 67.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.001 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.24 -27.0 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.262 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.79 9.47 39.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.347 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.77 HG13 HD12 ' A' ' 75' ' ' LEU . 88.6 t -103.44 -48.65 10.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -80.61 -29.3 36.86 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.201 0.524 . . . . 0.0 109.649 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 11.2 t -67.12 -19.71 65.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.339 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.6 t -123.74 -19.22 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.77 HD12 HG13 ' A' ' 71' ' ' VAL . 13.7 mt -114.57 -15.46 12.0 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.523 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -106.1 -14.69 15.09 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.293 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.11 42.87 0.88 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 67.52 57.76 0.55 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.619 -0.29 . . . . 0.0 110.977 -179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.2 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.827 0.346 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -156.4 -56.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -81.93 -46.3 14.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.017 0.437 . . . . 0.0 110.34 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 m -68.83 -29.6 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.001 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.2 OUTLIER -66.07 -15.8 63.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.321 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -100.61 -35.73 4.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -61.58 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.44 -19.11 33.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -80.68 -57.27 3.64 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.09 -32.23 72.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -68.82 -46.4 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.069 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 52.2 m -68.26 -30.25 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.786 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -34.87 65.61 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.759 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -104.71 -17.44 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.848 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -63.55 -44.6 93.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.793 0.33 . . . . 0.0 110.356 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 -37.93 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.51 75.87 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -27.87 42.91 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.012 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.5 m -74.3 -55.91 5.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.061 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.84 -24.48 36.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.03 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -76.48 -37.23 57.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.041 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -56.56 -39.52 73.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.254 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -70.59 -52.09 23.85 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.78 179.555 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -23.36 66.1 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.285 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 3.4 m-85 -108.84 -5.03 16.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -137.64 -35.17 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 4.6 mmtt -86.14 -52.34 5.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.963 0.411 . . . . 0.0 111.244 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.7 m -86.04 -10.97 54.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -77.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.868 0.366 . . . . 0.0 111.463 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' H ' ' CD ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -109.8 -48.07 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' CD ' ' H ' ' A' ' 42' ' ' LEU . 10.9 Cg_exo -71.5 48.25 0.97 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.49 2.127 . . . . 0.0 112.937 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 49' ' ' LEU . . . -170.07 21.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' A' ' 49' ' ' LEU . 79.8 t -149.21 -90.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 120.828 0.346 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.5 m-20 52.14 90.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.15 -71.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.987 177.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -40.62 -34.33 0.36 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.21 0.528 . . . . 0.0 110.659 -179.145 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.775 ' CB ' HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -114.09 -22.16 10.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.796 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HB2' HG12 ' A' ' 45' ' ' VAL . 3.6 ttm180 -86.69 8.18 23.54 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.378 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 m-20 -102.49 -39.08 7.28 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -55.48 -24.98 34.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.769 0.318 . . . . 0.0 111.122 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.433 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.4 t80 -100.1 -55.48 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 111.515 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -84.65 27.83 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.594 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.896 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -146.03 -37.19 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.2 m -97.52 -26.75 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.709 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 26.3 m -104.26 -22.15 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.44 -38.47 7.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.394 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -84.9 4.65 32.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.364 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.2 mtp -128.14 -26.29 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -23.22 13.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.599 0.238 . . . . 0.0 111.192 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -89.35 -11.16 44.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.535 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' HA ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -69.05 -28.87 66.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.473 179.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -53.73 -23.77 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.989 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.26 -22.21 57.33 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.736 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . 5.2 mp -99.39 -22.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.196 0.522 . . . . 0.0 110.614 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.25 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -27.04 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.213 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -55.58 -27.05 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.076 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 15.3 tp60 -95.83 14.88 21.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.843 HG12 HD23 ' A' ' 75' ' ' LEU . 89.3 t -110.2 -56.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.036 0.446 . . . . 0.0 110.24 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -67.42 -38.97 85.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.637 179.591 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.525 ' N ' ' H ' ' A' ' 79' ' ' GLU . 1.6 p -71.69 -18.45 62.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 70' ' ' GLN . 42.1 t -105.47 -19.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.962 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.843 HD23 HG12 ' A' ' 71' ' ' VAL . 1.4 pp -100.58 -42.08 6.69 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -3.08 8.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.203 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 65.06 41.08 97.36 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -115.15 -32.53 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.593 -0.303 . . . . 0.0 110.919 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 72' ' ' LEU . 70.9 tt0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.239 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.02 -48.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.93 -18.67 61.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.731 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -50.34 -25.09 3.45 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -45.9 -43.93 14.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.0 110.984 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 22' ' ' LEU . 23.4 t -66.28 -36.69 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.264 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -62.19 -59.9 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.42 -21.21 35.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.058 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.98 -56.65 4.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.607 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD11 HG12 ' A' ' 18' ' ' VAL . 2.4 mt -63.04 -34.42 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.249 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.6 m -65.33 -33.51 76.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.246 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 56.0 m -64.64 -36.63 84.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.114 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -36.58 72.77 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.781 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -93.84 -17.14 23.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.845 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 0.5 OUTLIER -63.88 -42.49 97.48 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.68 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 t -63.41 -38.53 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.023 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -77.69 -28.04 50.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.908 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.8 m -68.42 -55.85 10.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.316 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.3 -23.03 45.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.46 -30.02 41.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 2.5 mt-30 -74.82 -47.38 30.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.149 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -50.69 -53.07 34.23 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.303 179.632 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -33.81 75.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.915 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -95.22 -1.46 51.59 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 5.8 mt-10 -137.13 -58.07 0.71 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.847 0.355 . . . . 0.0 111.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 2.7 mmmp? -65.96 -57.23 8.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.3 m -59.95 -21.32 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.356 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -25.67 60.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.933 0.397 . . . . 0.0 110.733 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HB3' ' CD ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -118.32 170.53 6.26 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.373 179.623 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.657 ' HB2' HG23 ' A' ' 45' ' ' VAL . 3.5 Cg_exo -77.13 17.0 0.9 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.877 2.385 . . . . 0.0 112.687 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 63.18 24.65 14.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 43' ' ' PRO . 27.1 t -99.68 -31.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.9 -19.53 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.409 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -41.67 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -58.3 -25.73 62.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.235 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.58 -18.28 14.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.922 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 71.66 1.45 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 3.7 m-20 -139.87 -54.67 0.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.364 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -50.2 -36.55 31.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.111 0.482 . . . . 0.0 110.499 179.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -87.15 -52.49 5.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 46.4 t -72.86 12.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -116.02 -16.56 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.668 178.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 m -109.01 -21.04 12.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.894 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 p -113.59 -26.08 8.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.317 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 54' ' ' SER . . . -104.72 -50.76 3.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.774 0.321 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' C ' HG22 ' A' ' 62' ' ' THR . . . -68.03 -8.88 41.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.844 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.5 mmm -104.14 -48.35 3.9 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-O 120.917 0.389 . . . . 0.0 110.463 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -73.17 -13.19 61.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.028 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.454 HG22 ' C ' ' A' ' 59' ' ' ALA . 5.3 t -65.08 -42.96 93.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.4 63.1 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.222 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -55.48 -23.06 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.254 0.549 . . . . 0.0 109.657 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.37 -23.88 32.9 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.269 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.598 HG22 HE21 ' A' ' 70' ' ' GLN . 27.1 mm -86.58 -11.38 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.699 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.44 -60.91 2.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.47 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -24.28 66.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.616 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.13 -27.14 65.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.598 HE21 HG22 ' A' ' 66' ' ' ILE . 9.5 mt-30 -96.43 7.97 45.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.925 HG13 HD21 ' A' ' 75' ' ' LEU . 73.6 t -99.4 -69.54 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.45 -28.66 70.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.166 0.508 . . . . 0.0 109.792 179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.66 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 12.0 t -72.22 -10.66 60.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.197 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.95 -23.5 2.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.925 HD21 HG13 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.04 -7.19 6.01 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -106.36 -12.29 15.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.539 0.609 . . . . 0.0 111.571 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.48 41.67 0.67 Allowed Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.399 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.4 OUTLIER 63.42 56.23 1.68 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 120.556 0.217 . . . . 0.0 111.153 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.979 0.418 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -135.11 -38.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.854 179.748 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.26 -45.87 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.949 0.404 . . . . 0.0 110.762 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -29.98 67.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -74.84 -5.86 45.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 14' ' ' PHE . 38.3 t -111.68 -36.62 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -66.13 -63.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.303 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.52 -22.22 54.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.29 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -56.94 4.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.716 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD13 HG12 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -63.29 -30.47 71.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.433 179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.8 t -69.65 -34.33 73.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.438 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 55.5 m -64.97 -34.82 79.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.426 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -35.26 64.09 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 121.263 0.554 . . . . 0.0 109.971 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -102.88 -16.21 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.069 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 18.0 tt0 -61.53 -42.29 98.6 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 t -62.23 -36.67 82.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.016 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.52 82.07 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -28.97 46.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.933 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.8 m -67.47 -53.07 32.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.036 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -22.9 34.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.097 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -81.07 -30.38 34.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.388 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -44.32 44.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.324 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -54.41 -57.54 10.89 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.252 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HA ' ' HB ' ' A' ' 40' ' ' THR . 1.1 tp -60.15 -32.34 70.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.811 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -88.09 -2.66 58.74 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -149.74 -61.19 0.21 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -56.74 -44.43 81.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.711 -179.251 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 36' ' ' LEU . 47.5 m -84.04 -11.99 55.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.362 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -35.41 73.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.982 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.671 ' HB2' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -144.49 -59.78 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.78 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD3' ' HB2' ' A' ' 42' ' ' LEU . 24.6 Cg_exo -63.2 69.7 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.21 1.94 . . . . 0.0 112.638 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LEU . . . -171.8 29.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.825 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.884 HG21 HD12 ' A' ' 49' ' ' LEU . 40.4 t -96.96 -49.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.068 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' H ' ' HB2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER 60.91 30.26 19.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.326 0.584 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HB3' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -145.57 -51.24 0.25 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.085 -178.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -121.05 -23.25 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.379 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.884 HD12 HG21 ' A' ' 45' ' ' VAL . 12.1 mt -110.22 -18.73 13.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.571 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 3.2 mmt180 -138.76 37.16 2.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.495 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -97.66 -31.82 12.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -40.37 39.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.548 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -63.32 -55.87 21.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 1.022 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 67.5 p -74.48 4.83 5.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.99 -5.11 23.76 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.64 -31.45 0.77 Allowed 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.216 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.63 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 3.3 t -178.91 -23.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 61' ' ' SER . . . 145.4 44.74 0.0 OUTLIER 'General case' 0 C--N 1.346 0.433 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 1.022 ' HB3' ' HA ' ' A' ' 54' ' ' SER . . . -63.59 -32.78 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.238 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.449 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 0.7 OUTLIER -92.92 -36.22 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.719 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.724 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 15.7 m -67.68 -36.95 81.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.826 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.7 m -58.47 -24.62 60.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -30.83 69.72 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.79 -23.99 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.913 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.59 -20.57 28.9 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.803 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.46 -10.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-O 120.812 0.339 . . . . 0.0 111.252 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -51.0 63.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.092 0.473 . . . . 0.0 110.798 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -22.35 61.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.233 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -29.58 33.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.683 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.46 1.31 56.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.69 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.32 -64.63 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.406 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -55.78 -26.27 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.698 179.608 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.497 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 75.4 m -81.48 -15.36 55.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.7 t -112.1 -18.56 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.754 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' CD2' ' HA ' ' A' ' 72' ' ' LEU . 2.5 pp -82.76 -36.09 25.99 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.216 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -134.18 -78.12 0.46 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.232 0.539 . . . . 0.0 111.242 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 78' ' ' GLU . . . -171.36 48.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' N ' ' HA ' ' A' ' 73' ' ' SER . 4.5 tt0 79.46 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.125 0.488 . . . . 0.0 110.298 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 23.9 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.874 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 121.005 0.431 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -81.0 -34.11 33.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.4 -56.38 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.293 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -53.7 -26.55 23.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.506 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.8 OUTLIER -69.75 -20.4 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.249 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 t -106.39 -34.94 3.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -63.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.359 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.44 -20.35 44.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.304 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -76.68 -58.27 3.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.687 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.59 78.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.14 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' GLU . 20.2 t -70.19 -39.5 75.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.078 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.617 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 3.8 m -60.48 -35.55 76.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.743 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -35.97 61.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 110.224 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -16.63 15.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.929 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.617 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 4.4 tt0 -64.83 -41.66 95.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.665 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -63.4 -36.21 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -35.85 79.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -28.64 34.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.011 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -69.74 -47.6 62.47 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.66 -22.79 37.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.097 0.475 . . . . 0.0 110.316 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.54 -28.36 31.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' HA ' ' N ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -68.52 -29.53 68.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.64 -47.93 14.59 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -26.95 48.58 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -149.12 4.67 0.63 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' CA ' ' HA ' ' A' ' 34' ' ' GLN . 10.5 tt0 66.49 31.33 8.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.956 0.408 . . . . 0.0 110.263 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 17.4 mtpt 58.66 17.71 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.355 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -82.75 -14.88 53.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.351 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -37.6 85.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.526 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' H ' ' HD2' ' A' ' 43' ' ' PRO . 13.2 mt -155.2 -61.27 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.501 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HD2' ' H ' ' A' ' 42' ' ' LEU . 38.9 Cg_endo -66.46 43.64 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.738 2.292 . . . . 0.0 113.672 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 39' ' ' LYS . . . 177.11 39.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.948 0.404 . . . . 0.0 110.518 179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HD23 ' A' ' 49' ' ' LEU . 30.1 t -119.52 -67.91 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.17 -38.15 36.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.992 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . 31.4 mt-10 -76.67 -48.22 19.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.81 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -56.4 -29.86 62.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.252 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -92.93 -18.1 23.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.041 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.644 ' HD3' HD11 ' A' ' 49' ' ' LEU . 2.7 ptt180 -176.44 105.96 0.07 Allowed 'General case' 0 C--N 1.338 0.085 0 CA-C-O 121.26 0.552 . . . . 0.0 111.857 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -175.74 -62.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.497 179.143 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.06 -29.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.122 0.487 . . . . 0.0 110.482 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.491 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.9 t80 -94.66 -53.96 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.073 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 p -82.71 24.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.681 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.0 mmtp -149.95 -44.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.664 0.269 . . . . 0.0 110.673 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 -16.63 22.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.445 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 85.4 m -112.8 -16.18 12.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.176 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -42.01 3.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -85.39 5.64 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.1 mtp -125.46 -32.86 2.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.2 t -85.26 -31.75 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.074 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -91.56 5.31 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.451 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -31.47 66.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.929 0.395 . . . . 0.0 110.656 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 t -54.34 -24.59 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.55 -22.05 30.03 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.674 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 66' ' ' ILE . 27.9 mm -92.58 -10.36 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.99 -51.08 59.54 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.14 33.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.77 -21.52 41.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' HG ' ' A' ' 73' ' ' SER . 7.6 mt-30 -100.79 13.34 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.267 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.4 t -100.22 -66.85 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -68.52 -24.95 64.72 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.679 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 14.7 p -75.78 -16.03 60.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.262 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.28 -21.42 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.8 pp -119.4 -9.92 9.79 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -108.81 -6.2 15.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.888 0.375 . . . . 0.0 111.368 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.84 46.41 1.77 Allowed Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 9.9 tt0 63.76 57.82 1.34 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.611 -0.295 . . . . 0.0 110.876 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' N ' ' HA ' ' A' ' 73' ' ' SER . 34.0 tt0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.459 ' C ' ' H ' ' A' ' 15' ' ' LEU . 6.8 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.764 0.316 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 13' ' ' THR . 69.6 t80 67.77 -17.39 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 13' ' ' THR . 69.0 mt -86.25 -49.42 7.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.948 0.404 . . . . 0.0 110.441 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' SER . 13.3 tt0 -64.07 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 14' ' ' PHE . 36.3 t -86.69 -37.2 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -60.51 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.462 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.37 -19.99 17.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -75.39 -57.93 3.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.763 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.409 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.07 -33.72 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.708 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.8 m -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -35.93 64.75 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.209 0.528 . . . . 0.0 109.92 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -103.5 -15.56 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.89 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 33.8 tt0 -61.72 -37.46 84.26 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.676 0.274 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -62.99 -41.89 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.279 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.17 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -83.51 -22.98 32.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -65.87 -44.3 85.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.25 46.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.137 0.494 . . . . 0.0 110.281 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.99 -28.25 25.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.352 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -67.64 -36.15 80.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -54.17 -60.54 3.2 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.49 -28.53 67.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.171 0.51 . . . . 0.0 110.079 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -81.38 5.36 17.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.093 179.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 3.4 pt-20 58.47 34.74 24.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.147 0.499 . . . . 0.0 110.883 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -108.09 -33.02 7.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.425 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.8 m -110.51 -19.97 12.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -54.35 -31.22 54.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD23 ' CG2' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -91.77 134.08 29.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 56.4 5.16 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.366 2.044 . . . . 0.0 112.509 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 47.4 34.86 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.402 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.566 ' CG2' HD23 ' A' ' 42' ' ' LEU . 43.9 t -56.15 -24.3 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.215 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -66.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.809 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.7 -41.77 87.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -50.88 -34.75 29.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 0.0 110.29 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.18 -21.5 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.866 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.55 18.28 15.79 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.681 0.277 . . . . 0.0 111.218 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -101.87 -44.02 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.51 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -44.28 71.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.515 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -53.06 36.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.87 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.49 ' HB2' ' N ' ' A' ' 61' ' ' SER . 89.8 p -72.35 7.56 1.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.003 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -133.96 -9.86 2.68 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.054 178.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.6 t -51.44 -32.64 27.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 22.6 m -145.89 -5.46 0.62 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.252 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 72.46 41.78 0.57 Allowed 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.0 -30.3 12.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.646 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 8.2 mmm -106.79 -0.01 23.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.611 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.933 ' O ' HG22 ' A' ' 64' ' ' THR . 39.0 t -102.43 -34.22 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 0.0 110.744 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 m -60.04 -38.8 83.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -30.68 42.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.56 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.933 HG22 ' O ' ' A' ' 61' ' ' SER . 1.5 t -52.88 -24.73 9.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.233 0.54 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.97 -24.23 72.43 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.482 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 66' ' ' ILE . 5.0 mp -102.02 -20.23 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.94 -47.0 76.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.286 179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.418 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.07 -25.81 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.53 -26.92 34.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -88.39 4.26 46.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.79 HG13 HD12 ' A' ' 75' ' ' LEU . 67.1 t -98.48 -44.48 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -81.88 -24.35 35.77 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.7 m -68.07 -20.46 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.029 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.6 t -124.38 -19.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.79 HD12 HG13 ' A' ' 71' ' ' VAL . 18.6 mt -112.23 -15.74 13.13 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 22.6 mttp -106.67 -15.24 14.81 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.113 -0.367 . . . . 0.0 111.406 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.38 42.9 0.79 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 2.5 tt0 67.69 57.25 0.54 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.641 -0.28 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.856 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.1 mt-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.826 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 15' ' ' LEU . 22.2 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.641 0.258 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' THR . 82.8 t80 67.14 -17.47 0.13 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 13' ' ' THR . 40.8 mt -98.4 -42.83 7.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.679 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -66.37 -31.06 71.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.99 -36.75 57.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -60.62 2.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.152 0.501 . . . . 0.0 110.291 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -20.77 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -57.15 4.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.792 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -68.03 -30.79 70.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.226 179.447 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.98 59.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.903 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 18.7 p -73.51 -31.64 63.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.51 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.09 -38.57 73.53 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.268 0.556 . . . . 0.0 109.664 179.389 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -96.31 -17.19 20.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.875 179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 19.0 tt0 -57.84 -39.99 79.03 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.729 0.3 . . . . 0.0 110.746 179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -63.45 -37.73 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.185 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.02 82.39 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -75.25 -28.09 59.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.821 178.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.559 HG22 ' CZ ' ' A' ' 41' ' ' TYR . 58.7 m -73.01 -60.08 2.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.163 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -24.42 45.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.153 0.501 . . . . 0.0 109.916 179.05 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -73.17 -33.94 65.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.691 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 tp-100 -51.32 -40.02 58.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.816 179.6 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.48 -54.13 50.46 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.153 0.502 . . . . 0.0 111.138 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -21.56 53.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.975 -179.127 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 1.1 m-85 -99.42 -7.05 26.67 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.705 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HB3' ' OG1' ' A' ' 40' ' ' THR . 8.7 mt-10 -158.13 -18.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 65.69 12.74 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.559 0.219 . . . . 0.0 111.319 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 38' ' ' GLU . 1.5 m -73.26 -34.7 65.97 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.18 0.514 . . . . 0.0 109.988 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CZ ' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER -56.34 -19.9 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.306 179.633 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD22 ' HD2' ' A' ' 43' ' ' PRO . 9.9 mt -67.26 169.18 9.17 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.378 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD2' HD22 ' A' ' 42' ' ' LEU . 89.8 Cg_endo -78.73 47.54 2.49 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.531 2.154 . . . . 0.0 113.063 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 50.64 55.25 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 111.579 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.1 t -69.66 -42.84 80.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.15 -33.9 77.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 3.4 mp0 -81.12 -46.74 14.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.588 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -54.52 -24.77 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.9 -17.8 14.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.056 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -161.07 96.36 1.09 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.315 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -161.81 -50.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.493 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -49.59 -36.0 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.032 0.444 . . . . 0.0 110.738 179.72 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -64.04 -57.08 10.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -86.45 14.78 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.865 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.9 ttpp -112.1 -12.82 13.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.049 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.9 p -118.35 -10.99 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.138 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 53' ' ' TYR . 14.8 t -111.75 -8.87 14.13 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.585 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' HB ' ' A' ' 62' ' ' THR . . . -139.51 -49.33 0.49 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.306 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -58.59 -14.14 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.33 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.4 ptm -126.78 -41.18 1.85 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -42.49 53.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.591 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 39.2 m -71.92 -8.53 54.93 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -31.42 69.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.985 0.422 . . . . 0.0 110.361 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.9 p -56.03 -23.61 34.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.872 179.116 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.91 -20.21 29.12 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.811 178.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 66' ' ' ILE . 41.0 mm -93.86 -8.84 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.79 71.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -28.77 16.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.411 -179.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -56.1 -24.04 37.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.687 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.1 pt20 -89.17 1.51 55.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.577 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.765 HG12 ' CD1' ' A' ' 75' ' ' LEU . 88.4 t -100.77 -71.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.467 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' HB2' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.71 -26.98 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 0.0 110.359 179.223 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.537 ' HA ' ' N ' ' A' ' 78' ' ' GLU . 19.4 m -71.78 -30.06 65.14 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.718 179.167 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' GLN . 14.6 t -101.06 -20.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.171 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.765 ' CD1' HG12 ' A' ' 71' ' ' VAL . 83.6 mt -68.14 -46.14 71.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.648 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.0 -67.58 0.49 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.348 0.594 . . . . 0.0 111.328 -178.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.77 51.88 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.909 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.537 ' N ' ' HA ' ' A' ' 73' ' ' SER . 3.0 tt0 77.23 56.85 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.089 0.471 . . . . 0.0 110.191 -179.202 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' N ' ' HB2' ' A' ' 72' ' ' LEU . 5.5 tm-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.911 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -78.28 -59.84 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.529 -179.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.49 -40.89 73.31 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -67.39 -16.68 64.38 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.535 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -38.75 74.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.477 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.0 t -56.54 -35.72 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.722 179.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -60.56 3.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.262 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.18 -19.98 37.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.355 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -58.13 3.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.636 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.85 -31.76 72.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -71.81 -38.53 70.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.727 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 7.1 p -66.99 -31.86 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.488 179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -36.15 60.46 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.274 0.559 . . . . 0.0 109.918 179.194 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -21.54 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.817 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 11.9 tt0 -66.08 -38.14 87.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -63.48 -38.81 92.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.15 80.91 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -81.07 -24.97 37.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.382 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.3 m -68.48 -43.19 77.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.655 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.75 -21.99 21.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 179.395 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.45 -31.66 24.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.538 179.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -35.27 24.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -57.17 -48.34 78.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -54.05 -36.6 63.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.5 -0.27 56.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.159 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.04 31.94 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.169 0.509 . . . . 0.0 110.209 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.0 mttm 54.7 19.13 2.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.032 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.2 m -79.45 -13.22 59.73 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -51.63 -32.09 27.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.64 130.68 44.36 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.173 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.85 48.2 2.39 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.401 2.067 . . . . 0.0 112.84 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.63 16.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 48' ' ' LYS . 3.6 t -121.21 -66.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.752 0.31 . . . . 0.0 111.317 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.611 ' HB2' ' CB ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 62.26 89.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.051 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 13.9 mt-10 50.52 26.99 2.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.437 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER 50.23 29.75 3.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.594 0.712 . . . . 0.0 109.373 -178.502 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -119.34 -42.55 2.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.273 -179.086 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.9 ttt180 -83.48 -5.67 59.23 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.283 179.168 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' OD2' HG13 ' A' ' 45' ' ' VAL . 6.3 t0 -63.03 -54.99 29.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.59 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.77 -32.66 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.713 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.778 ' O ' HG22 ' A' ' 57' ' ' THR . 2.3 t80 -65.46 -57.3 8.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.611 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 t -91.29 17.31 8.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.76 -179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -13.39 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.064 179.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 m -112.25 -26.51 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 53' ' ' TYR . 13.6 t -105.68 4.98 30.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.764 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.65 -49.25 0.2 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.43 -11.45 33.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.488 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.2 ptm -129.26 -41.82 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.749 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.82 -44.07 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.619 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.5 m -84.3 -17.89 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.498 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 -30.93 67.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.903 0.383 . . . . 0.0 110.769 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -25.27 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.322 0.582 . . . . 0.0 109.89 179.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.33 -20.42 30.0 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 66' ' ' ILE . 44.7 mm -93.23 -12.55 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.9 0.381 . . . . 0.0 110.98 179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -47.32 82.02 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.668 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -21.32 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -27.83 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 111.019 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -90.42 5.3 48.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.066 HG13 HD21 ' A' ' 75' ' ' LEU . 57.9 t -101.4 -64.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.829 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -56.33 -27.79 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.063 0.459 . . . . 0.0 109.899 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 1.4 t -74.11 -9.37 58.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.114 179.199 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.73 -22.47 3.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.066 HD21 HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -133.02 -5.82 3.09 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -178.336 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.829 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -106.79 -12.18 15.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.971 0.805 . . . . 0.0 111.735 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.54 40.76 0.56 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.705 -179.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.656 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.5 OUTLIER 62.3 59.13 1.63 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.479 0.181 . . . . 0.0 111.433 179.758 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.2 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.217 -0.896 . . . . 0.0 111.03 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.565 ' HB ' HG22 ' A' ' 16' ' ' THR . 2.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.29 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.759 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.34 -42.1 77.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.565 HG22 ' HB ' ' A' ' 13' ' ' THR . 9.9 t -55.18 -26.65 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.4 tt0 -65.73 -45.97 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.497 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.4 -35.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.933 179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -60.61 3.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.185 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -60.33 -19.69 56.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.247 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -78.01 -56.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.835 179.833 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.09 89.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.304 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -65.27 -33.7 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.633 ' HA ' ' HB2' ' A' ' 27' ' ' GLU . 43.4 m -64.28 -35.05 79.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.428 179.536 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 -40.64 61.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.18 179.51 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -97.16 -16.55 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.155 179.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 24' ' ' SER . 21.1 mt-10 -51.44 -41.63 60.96 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.334 -179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -62.14 -40.91 97.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -33.54 75.14 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 -24.56 35.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.063 178.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.0 m -67.15 -48.78 67.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.88 35.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.133 0.492 . . . . 0.0 110.285 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.92 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.553 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.89 -35.84 74.97 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -53.08 62.22 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.07 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -31.59 68.99 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.807 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.93 -1.1 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 69.87 32.75 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.112 -179.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.0 mttp 52.25 22.55 2.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.307 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 m -80.2 -17.61 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -31.24 50.06 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD23 ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -103.88 157.36 34.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 179.775 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.861 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.1 Cg_endo -82.48 33.66 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.141 2.561 . . . . 0.0 112.934 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.42 26.23 3.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 111.252 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 43' ' ' PRO . 28.5 t -128.94 -34.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.83 -41.21 61.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.091 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 56.4 mt-10 -77.17 -47.03 21.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.57 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -35.75 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 109.965 179.237 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -91.6 -16.01 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.251 179.801 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 87.26 1.71 Allowed 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 111.502 -179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 179.16 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.596 179.453 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.08 -34.53 22.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.46 . . . . 0.0 110.493 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' O ' ' HB ' ' A' ' 57' ' ' THR . 2.2 t80 -92.26 -53.43 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.692 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -81.76 27.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.614 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 8.9 ttmm -163.44 -53.13 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 179.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.21 10.11 28.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 53' ' ' TYR . 39.6 m -133.51 -32.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 110.877 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.63 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.025 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -66.82 -12.37 58.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.713 179.354 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -98.43 -33.75 10.91 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.0 0.429 . . . . 0.0 110.568 179.546 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -81.69 -30.1 32.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 179.674 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -73.09 -6.88 48.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -31.32 68.87 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.005 0.431 . . . . 0.0 110.622 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -24.54 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.757 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -22.42 31.69 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.449 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -86.9 -12.45 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-O 120.965 0.412 . . . . 0.0 110.766 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.487 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 0.6 OUTLIER -64.77 -46.23 82.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.252 179.906 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.438 ' HA ' HG23 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -61.14 -21.45 63.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.97 -179.286 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -29.68 46.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 67' ' ' PHE . 5.3 pp0? -95.14 6.28 49.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.661 0.267 . . . . 0.0 111.517 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.638 HG13 HD12 ' A' ' 75' ' ' LEU . 57.6 t -93.2 -41.02 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 110.73 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -92.79 -19.07 22.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 30.2 t -78.15 -15.56 58.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 178.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.95 -16.96 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.947 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.638 HD12 HG13 ' A' ' 71' ' ' VAL . 7.5 mt -118.12 -14.86 9.9 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 2.5 mttt -106.89 -10.87 15.87 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.13 -0.356 . . . . 0.0 111.249 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.97 43.96 0.91 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -179.26 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.2 OUTLIER 61.85 58.31 1.97 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.617 -0.292 . . . . 0.0 111.591 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.801 ' CB ' HD12 ' A' ' 72' ' ' LEU . 7.6 mm-40 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.704 179.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 14.6 p . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.838 0.351 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -82.28 -46.23 13.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.21 -61.5 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.454 -179.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 m -48.45 -29.05 3.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.683 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 13' ' ' THR . 31.4 tt0 -60.15 -61.0 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.833 0.349 . . . . 0.0 110.637 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -55.81 -34.71 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.031 179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -62.69 -60.44 3.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.38 -20.29 59.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.165 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -79.52 -56.97 3.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.057 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.9 t -68.3 -39.65 81.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.627 179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 70.5 m -66.48 -32.19 73.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.538 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -38.29 68.32 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.26 0.552 . . . . 0.0 110.006 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -100.49 -15.85 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.775 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 12.2 tp10 -62.62 -37.14 85.1 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -64.6 -42.08 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.17 81.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -24.99 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.945 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -72.62 -60.59 2.16 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.264 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.22 66.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.858 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -76.61 -40.29 49.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.87 178.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -55.57 -33.27 63.74 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.751 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' HA ' ' HG3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -53.25 -68.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.693 -179.67 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -26.63 66.16 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.946 -179.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 5.5 m-85 -91.15 -5.2 55.37 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.507 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' GLN . 27.9 mt-10 -148.28 -60.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' HG3' ' HA ' ' A' ' 35' ' ' ASN . 2.3 mmpt? -50.45 -32.6 18.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 111.333 -179.419 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.853 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 53.5 m -99.3 -13.63 19.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -36.29 63.71 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 4.7 mt -131.0 -69.63 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.58 -179.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 58.8 Cg_endo -70.96 57.87 2.07 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.105 1.87 . . . . 0.0 112.323 -179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.853 ' HB2' ' HA ' ' A' ' 40' ' ' THR . . . -124.43 5.57 8.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.1 t -51.35 -26.53 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 50' ' ' ARG . 1.2 m-20 -61.44 -27.64 68.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -73.24 -46.03 52.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.028 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -54.14 -46.74 72.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.046 0.45 . . . . 0.0 109.938 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 49' ' ' LEU . 1.4 pp -77.07 -17.99 58.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.651 179.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -100.11 13.07 35.37 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.16 179.675 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -42.41 14.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.869 0.366 . . . . 0.0 110.449 179.716 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.89 -39.02 58.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -61.91 -58.13 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 60' ' ' MET . 0.0 OUTLIER -80.24 17.59 1.01 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.086 -179.707 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.15 -19.0 7.28 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.61 178.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.38 -33.85 1.79 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.557 0.694 . . . . 0.0 109.43 178.022 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 9.0 t 179.55 29.9 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.152 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 57' ' ' THR . . . 76.97 42.08 0.15 Allowed 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -178.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.08 86.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.26 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.428 ' HB2' ' HB3' ' A' ' 54' ' ' SER . 3.5 mmt -131.38 -1.6 3.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.552 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.7 p -83.44 -17.68 41.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.606 0.241 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 t -54.82 -45.82 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -32.77 71.55 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.7 m -55.58 -23.18 25.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.284 0.564 . . . . 0.0 109.878 179.182 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.66 -21.09 29.79 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.59 178.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 66' ' ' ILE . 36.7 mm -90.03 -12.63 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.946 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -48.13 36.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -19.35 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.62 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -25.68 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.632 -179.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -99.38 15.52 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.831 HG12 HD23 ' A' ' 75' ' ' LEU . 96.2 t -112.86 -53.25 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -72.18 -36.73 69.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.323 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.416 ' HA ' ' N ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -75.29 -9.38 58.5 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.584 178.606 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.02 -18.21 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 HG12 ' A' ' 71' ' ' VAL . 1.9 pp -102.26 -38.01 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.014 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.492 ' HG2' ' HB2' ' A' ' 78' ' ' GLU . 3.1 tttp -108.59 -8.01 15.57 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.439 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.22 34.4 89.86 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.86 -27.99 0.48 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.542 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 3.6 tm-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.354 -0.832 . . . . 0.0 110.622 -179.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -74.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.693 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.63 -47.94 79.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.7 m -58.4 -31.45 67.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.057 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' SER . 1.2 mt-30 -74.2 -7.55 53.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.505 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.12 -35.79 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.399 . . . . 0.0 110.674 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -65.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.809 179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.5 -21.32 59.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.057 178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -72.38 -56.06 6.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.357 179.393 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.03 -38.09 87.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.023 179.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.54 -34.99 76.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.206 179.387 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CB ' ' A' ' 27' ' ' GLU . 3.1 m -61.09 -36.43 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -38.12 62.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.325 0.583 . . . . 0.0 109.862 179.379 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -99.47 -16.67 18.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.856 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 24' ' ' SER . 6.5 tt0 -67.51 -40.44 85.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.723 0.296 . . . . 0.0 111.022 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 -39.86 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.135 179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.26 -35.96 80.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.18 -27.87 57.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.835 178.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.8 m -73.31 -60.27 2.32 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.85 41.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 37' ' ' TYR . . . -77.78 -43.13 31.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.682 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -63.37 -37.08 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 0.0 110.657 179.67 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.554 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.7 t30 -60.4 -54.59 43.81 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.588 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -29.36 46.57 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 33' ' ' ALA . 22.4 m-85 -103.82 -1.07 28.4 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -177.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.682 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 69.8 mm-40 -135.37 -68.88 0.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -61.53 -22.44 65.14 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.528 -179.112 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.543 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 81.3 m -98.93 -12.59 20.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.619 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -76.97 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.679 0.276 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 6.3 tp -96.26 -65.3 0.1 OUTLIER Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.293 -179.527 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 45.3 Cg_endo -68.9 61.35 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.165 1.91 . . . . 0.0 112.361 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' HB2' ' HA ' ' A' ' 40' ' ' THR . . . -138.14 13.62 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.913 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -133.93 -51.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.82 -39.01 93.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -55.21 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -29.72 12.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mt -93.7 -19.29 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.72 0.47 44.61 Favored 'General case' 0 CA--C 1.528 0.101 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.355 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -71.66 -51.63 22.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.806 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.74 -31.14 4.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 57' ' ' THR . 2.4 t80 -63.56 -57.47 10.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.63 17.28 7.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.598 -179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -114.5 -29.62 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 179.375 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 97.3 p -109.4 10.08 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 53' ' ' TYR . 16.5 p -130.54 -22.28 2.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.281 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.47 -44.47 2.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.811 0.339 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 55' ' ' LYS . . . -67.79 -12.78 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 179.338 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -111.77 -35.36 5.76 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.006 0.432 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -68.59 -23.18 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.954 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.8 m -79.74 -37.49 35.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -31.42 63.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -25.65 15.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.357 0.598 . . . . 0.0 109.808 179.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.73 -24.04 34.12 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.627 178.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 mm -92.81 -13.04 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.142 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -47.05 85.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.421 ' HA ' ' CG2' ' A' ' 71' ' ' VAL . 0.2 OUTLIER -53.27 -25.17 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.166 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -55.99 -27.88 54.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.9 0.381 . . . . 0.0 111.141 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.57 13.29 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.534 HG13 HD21 ' A' ' 75' ' ' LEU . 98.4 t -100.87 -68.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.97 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.35 -28.66 70.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 179.35 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.629 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 4.5 t -70.07 -12.51 61.66 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.117 179.162 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.91 -21.32 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD21 HG13 ' A' ' 71' ' ' VAL . 3.5 pp -127.4 -9.06 5.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -178.529 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HB2' ' CA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -103.22 -16.59 15.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.539 0.609 . . . . 0.0 111.292 179.645 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.79 40.47 0.52 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.629 ' HA ' ' HA ' ' A' ' 73' ' ' SER . 0.6 OUTLIER 63.68 59.78 1.14 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.665 -0.267 . . . . 0.0 111.416 -179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.901 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.025 179.662 . . . . . . . . 2 2 . 1 stop_ save_