data_6tg5_residue ############################ # Computer software used # ############################ 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 6tg5 _Structure_validation_residue.Date_analyzed 2020-02-14 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 ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.961 0.41 . . . . 2.92 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -77.65 -38.22 48.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 3.62 110.062 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.86 -47.35 86.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 3.04 111.269 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.49 -34.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.558 -0.292 . . . . 2.07 110.808 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.34 -42.73 83.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.412 0.625 . . . . 1.33 109.729 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.65 -34.7 78.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.645 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.54 -50.71 71.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 3.26 110.963 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 14' ' ' VAL . 19.0 m -69.98 -31.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.659 -0.246 . . . . 2.02 110.783 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.59 -49.88 76.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.441 -0.345 . . . . 0.77 110.775 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -39.94 77.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.117 -0.492 . . . . 0.55 110.935 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 49.7 tp60 -64.09 -50.34 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.982 -0.554 . . . . 1.98 110.204 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 10' ' ' VAL . 95.1 t -59.53 -44.31 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.109 -0.496 . . . . 1.69 111.035 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.69 -45.68 73.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.874 0.369 . . . . 1.09 110.865 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -65.4 -35.59 81.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 2.67 110.76 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 83.8 mm-40 -72.97 -36.57 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.387 -0.37 . . . . 1.77 110.546 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.93 -45.68 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 1.19 110.315 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.19 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 1.19 110.632 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.41 -48.58 79.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 2.84 110.856 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' GLN . 93.6 t -59.83 -57.61 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 1.28 111.154 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.11 -37.89 86.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 2.34 110.743 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -39.9 97.74 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.124 -0.56 . . . . 0.94 112.467 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.65 75.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 1.47 111.085 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 48.9 mtpt -74.55 -19.8 60.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 3.69 111.102 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.94 18.87 32.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 1.23 112.656 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.83 149.61 18.54 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.778 -0.725 . . . . 1.27 112.064 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.85 137.41 78.64 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.106 2.537 . . . . 1.94 112.224 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.89 115.92 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 3.02 111.144 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.15 149.29 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.698 -0.683 . . . . 1.88 109.908 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.54 122.46 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.882 0.372 . . . . 1.51 110.63 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.25 104.09 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 2.04 111.155 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 44.2 mm-40 -95.31 143.61 26.55 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 2.05 109.291 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.73 -28.4 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.574 . . . . 1.28 111.974 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -98.34 8.96 44.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.815 0.34 . . . . 2.28 110.765 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 42.5 t -84.77 150.17 25.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 1.53 110.955 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -84.6 141.25 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 3.63 109.376 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 48.1 m-85 -60.19 -37.89 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.782 0.325 . . . . 0.66 110.781 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 30.7 t -66.52 -26.9 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 2.06 110.59 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.12 -33.42 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 2.2 110.088 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.78 -15.56 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 2.05 111.143 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -0.13 19.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.442 -0.885 . . . . 0.69 112.896 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.2 mm? -83.02 124.13 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.848 -0.427 . . . . 1.79 109.848 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -89.33 -176.78 5.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.684 -0.488 . . . . 2.07 109.684 175.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -55.94 -47.89 76.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 1.87 111.25 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.99 -37.63 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 2.68 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -68.49 -37.25 79.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.438 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.14 -46.53 90.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.07 109.767 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.85 95.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 1.29 110.612 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.0 m -62.67 -45.14 94.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.632 -0.713 . . . . 1.24 110.565 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.09 -43.64 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 1.18 110.9 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.65 -47.56 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 1.35 110.503 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -62.65 -36.12 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.97 -0.559 . . . . 1.66 111.158 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -65.67 -31.7 72.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 1.65 110.849 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 tp -81.69 -39.11 24.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.31 -0.404 . . . . 1.79 110.241 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.82 -45.1 78.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.972 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.92 -13.27 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 1.38 111.887 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 54' ' ' ASN . 90.2 t -82.9 -57.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.405 . . . . 1.33 110.7 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' HH ' HG13 ' A' ' 10' ' ' VAL . 36.1 m-85 -85.53 -28.01 25.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.39 111.744 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 C-N-CA 120.807 -0.711 . . . . 1.23 111.357 -175.447 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.757 0.313 . . . . 2.04 111.412 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -85.5 -6.06 59.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.035 0.445 . . . . 2.4 110.478 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.65 89.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 1.26 109.32 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.69 -57.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.031 -0.531 . . . . 1.5 111.003 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.5 p -97.49 164.71 12.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 1.33 110.815 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 65.3 t -56.27 -42.19 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 1.35 110.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.17 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.553 -0.749 . . . . 1.18 111.93 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.26 -45.05 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 2.04 111.171 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.41 -42.7 61.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.912 0.387 . . . . 1.19 110.235 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.824 -0.625 . . . . 1.09 110.818 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 81' ' ' ARG . 43.9 ttp180 -54.56 -43.37 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 4.78 111.409 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 1.29 111.547 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -87.0 -13.83 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.517 -0.311 . . . . 1.31 111.387 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.94 -27.95 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.06 0.457 . . . . 1.17 110.488 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 3.47 110.979 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.835 0.35 . . . . 2.92 110.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.68 -42.15 96.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 3.62 110.635 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.95 -53.4 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 3.04 111.537 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.35 -31.04 49.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.65 0.262 . . . . 2.07 111.164 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.1 tpt -77.29 -37.42 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 1.33 110.735 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -72.5 -29.96 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.829 -0.434 . . . . 1.36 109.829 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.07 -51.03 68.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 3.26 110.571 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG11 ' A' ' 14' ' ' VAL . 8.2 p -67.34 -31.57 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 110.157 -0.312 . . . . 2.02 110.157 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HA ' HG23 ' A' ' 14' ' ' VAL . 71.9 t80 -65.56 -45.02 84.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.77 110.615 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.98 -38.77 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 0.55 110.327 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.0 tp-100 -67.1 -49.6 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.601 -0.727 . . . . 1.98 111.025 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.0 m -65.51 -36.14 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.827 -0.349 . . . . 1.69 110.426 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.01 -44.59 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.252 0.548 . . . . 1.09 109.826 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 14.6 t60 -65.54 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.622 -0.717 . . . . 2.67 110.193 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 32.7 mm-40 -66.98 -49.93 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 1.77 110.31 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 82.8 mt -56.9 -44.62 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.112 -0.495 . . . . 1.19 110.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.64 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 1.19 111.77 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 47.0 mt-30 -74.36 -33.63 63.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.949 0.404 . . . . 2.84 110.722 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.99 -38.52 72.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.45 . . . . 1.28 110.24 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 85.5 mt -60.35 -39.3 86.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 2.34 110.144 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.08 93.14 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.699 -0.682 . . . . 0.94 111.934 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.42 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 1.47 110.688 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.0 mtpm? -73.16 -19.03 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 3.69 110.342 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.52 28.4 32.88 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.583 -0.735 . . . . 1.23 112.484 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.03 179.84 16.24 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.638 -0.791 . . . . 1.27 112.795 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.53 168.14 25.5 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.457 2.771 . . . . 1.94 112.366 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.06 108.96 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 3.02 110.218 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.4 164.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.878 -0.601 . . . . 1.88 111.355 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.33 97.9 11.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.566 . . . . 1.51 110.44 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.95 130.99 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.895 -0.593 . . . . 2.04 110.721 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.65 168.12 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.853 -0.612 . . . . 2.05 109.47 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.1 -11.66 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.176 -0.466 . . . . 1.28 112.043 -173.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -112.39 7.13 19.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.067 -0.396 . . . . 2.28 111.379 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -74.03 128.58 35.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 1.53 111.058 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -81.66 138.88 35.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.037 -0.727 . . . . 3.63 109.037 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -62.27 -23.37 66.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.66 111.018 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -63.7 -52.33 61.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.911 -0.586 . . . . 2.06 110.444 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -80.73 -10.27 59.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 2.2 110.995 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.82 -20.12 33.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 2.05 110.675 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.57 18.87 22.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.603 -0.808 . . . . 0.69 112.981 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.94 104.7 16.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.954 -0.387 . . . . 1.79 109.954 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.87 178.98 6.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.891 -0.595 . . . . 2.07 110.982 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -53.49 -64.72 0.73 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.072 0.768 . . . . 1.87 113.072 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.8 -37.29 86.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 2.68 111.094 -175.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -65.93 -45.67 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.882 -0.599 . . . . 1.11 110.451 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.572 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 tp -65.11 -41.72 94.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 2.07 110.416 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.096 0.474 . . . . 1.29 110.79 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.2 m -69.61 -38.42 77.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 1.24 110.284 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 1.18 110.378 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.1 mm -54.94 -53.01 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.872 -0.604 . . . . 1.35 110.667 177.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -62.6 -34.8 77.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 1.66 111.384 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.488 ' O ' HG21 ' A' ' 58' ' ' VAL . 4.6 m-80 -61.28 -52.52 64.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 1.65 110.982 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.65 -37.35 79.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.411 . . . . 1.79 110.596 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 7.7 tm-20 -58.75 -44.68 90.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 1.81 110.063 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.12 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.38 111.157 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 54' ' ' ASN . 79.5 t -66.18 -46.1 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 1.33 111.031 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.91 -47.74 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.823 0.345 . . . . 1.39 111.869 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.718 -176.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.887 0.375 . . . . 2.04 111.693 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 m -80.33 -26.07 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 2.4 110.052 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.92 89.46 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.99 -0.55 . . . . 1.26 109.595 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.15 -49.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.842 -0.617 . . . . 1.5 110.656 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.3 p -109.35 162.79 14.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.91 -0.587 . . . . 1.33 110.497 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.33 -33.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.934 0.397 . . . . 1.35 110.572 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.82 77.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.694 . . . . 1.18 111.283 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -59.97 -47.34 86.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.222 0.534 . . . . 2.04 110.16 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.64 -38.84 70.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.353 -0.839 . . . . 1.19 110.631 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.68 69.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 1.09 111.842 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.7 mtm-85 -63.53 -30.13 71.3 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.475 0.176 . . . . 4.78 111.475 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -40.48 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 1.29 110.571 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.428 ' OH ' ' HA ' ' A' ' 56' ' ' GLU . 72.3 m-85 -90.19 -15.21 31.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.31 111.642 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.81 -29.74 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.17 110.261 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.709 -0.678 . . . . 3.47 110.858 177.594 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.107 0.48 . . . . 2.92 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -71.65 -40.94 69.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 3.62 109.597 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.08 -52.93 62.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.134 -0.939 . . . . 3.04 111.111 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.85 -26.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.78 0.324 . . . . 2.07 110.933 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -75.75 -40.63 55.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.33 111.505 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.94 -23.75 52.42 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.832 -0.747 . . . . 1.36 109.95 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.59 -45.85 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 3.26 110.931 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.18 -37.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.948 -0.301 . . . . 2.02 110.527 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.44 ' HA ' HG21 ' A' ' 14' ' ' VAL . 63.9 t80 -62.19 -44.93 95.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.845 0.355 . . . . 0.77 110.174 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.99 -40.68 81.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.822 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.67 -47.13 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 1.98 110.927 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' A' ' 11' ' ' PHE . 34.5 m -67.48 -33.73 64.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 120.685 -0.406 . . . . 1.69 110.669 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.82 -49.13 76.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.306 0.574 . . . . 1.09 110.224 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -67.55 -39.31 84.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.585 -0.734 . . . . 2.67 110.849 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.37 -48.63 64.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.77 111.288 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.4 mt -56.18 -42.89 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 1.19 110.746 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.12 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 1.19 111.432 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -79.48 -33.94 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 2.84 111.302 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.25 -46.4 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 1.28 110.315 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.09 -39.85 93.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 2.34 110.514 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.16 97.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.074 -0.584 . . . . 0.94 112.169 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.0 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 1.47 111.088 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -82.79 -31.58 28.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.159 0.504 . . . . 3.69 110.421 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.32 15.49 17.43 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.816 -0.707 . . . . 1.23 111.942 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.87 145.26 20.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.706 -0.759 . . . . 1.27 111.785 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.41 144.74 62.72 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.557 2.172 . . . . 1.94 111.868 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.42 112.63 18.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.3 -0.409 . . . . 3.02 110.602 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -111.06 178.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.919 -0.582 . . . . 1.88 110.77 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.25 102.24 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 1.51 111.224 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.82 126.08 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.117 0.484 . . . . 2.04 110.405 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.4 172.78 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 2.05 110.332 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -73.41 -35.12 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.938 0.399 . . . . 1.28 110.912 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -95.09 16.83 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.447 . . . . 2.28 110.52 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 t -85.75 146.88 26.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 1.53 110.242 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.77 130.76 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.184 -0.462 . . . . 3.63 110.102 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 89.1 m-85 -59.08 -31.56 69.01 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.463 -0.79 . . . . 0.66 111.837 -175.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -61.05 -34.18 74.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 2.06 110.892 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.08 -34.02 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.095 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -77.09 -5.59 49.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 2.05 110.864 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 28.88 13.17 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.683 -0.77 . . . . 0.69 111.86 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -107.89 119.49 39.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.718 -0.475 . . . . 1.79 109.718 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -96.75 -175.07 3.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.422 -0.354 . . . . 2.07 110.224 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -58.73 -41.22 85.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.765 0.317 . . . . 1.87 110.844 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.23 -42.22 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 2.68 110.589 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.94 -40.02 87.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.14 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' CG ' ' A' ' 38' ' ' PHE . 47.5 mt -65.9 -39.99 91.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 2.07 110.943 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.07 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 1.29 110.28 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -70.13 -44.92 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.842 -0.617 . . . . 1.24 110.834 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.41 -50.99 71.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 1.18 111.121 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.5 mt -62.78 -42.62 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 1.35 110.776 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 m -61.08 -36.95 81.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.256 0.55 . . . . 1.66 110.833 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -75.22 -31.61 60.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.583 -0.735 . . . . 1.65 110.517 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 2.5 mm? -70.23 -34.9 73.44 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.494 -0.321 . . . . 1.79 110.693 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.48 -38.24 71.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.81 110.195 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.94 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 1.38 111.576 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.16 -43.69 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.462 -0.335 . . . . 1.33 111.071 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -96.84 -30.18 13.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.208 0.447 . . . . 1.39 112.208 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 111.432 -0.667 . . . . 1.23 111.432 -175.44 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.945 0.35 . . . . 2.04 111.945 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -80.42 -30.24 37.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 2.4 110.44 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.68 90.23 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.779 -0.646 . . . . 1.26 109.929 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.47 -45.8 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 1.5 110.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -119.64 168.0 11.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.515 . . . . 1.33 111.349 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 89.0 t -58.14 -40.0 75.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.371 . . . . 1.35 110.348 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.88 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.643 -0.708 . . . . 1.18 112.266 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.68 -41.27 88.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 2.04 110.863 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.11 -40.8 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 1.19 110.379 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.41 97.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 1.09 111.249 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.77 -31.76 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.683 0.278 . . . . 4.78 110.656 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.027 0.441 . . . . 1.29 110.475 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 55' ' ' LEU . 73.8 m-85 -87.77 -11.43 48.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.149 -0.478 . . . . 1.31 111.425 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.28 54.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.403 0.621 . . . . 1.17 109.395 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.143 -0.935 . . . . 3.47 109.574 174.429 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.126 0.488 . . . . 2.92 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -69.55 -34.69 74.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 3.62 110.093 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.74 -35.25 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 3.04 110.632 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.75 -47.29 91.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.092 0.473 . . . . 2.07 110.073 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.6 tpt -70.09 -34.46 73.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.701 -0.681 . . . . 1.33 110.326 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.14 -42.3 85.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.36 110.484 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.68 -50.92 71.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 3.26 111.204 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.496 HG22 ' HH ' ' A' ' 59' ' ' TYR . 11.1 p -72.47 -34.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 2.02 111.108 -178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.15 -37.84 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.77 110.534 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.08 -31.01 71.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.55 109.959 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.11 -50.44 48.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.409 -0.814 . . . . 1.98 110.567 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.3 m -62.24 -36.71 75.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 120.844 -0.342 . . . . 1.69 110.584 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.17 -49.39 74.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.149 0.5 . . . . 1.09 110.158 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -59.95 -37.15 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.796 . . . . 2.67 110.76 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 84.9 mm-40 -74.16 -42.3 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 1.77 111.108 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 14' ' ' VAL . 84.9 mt -60.33 -43.24 93.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.526 -0.306 . . . . 1.19 110.454 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.34 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.19 110.879 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.83 -51.75 56.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 2.84 111.043 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 -52.52 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 1.28 111.188 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.05 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.233 -0.187 . . . . 2.34 111.089 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.72 72.44 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.746 -0.74 . . . . 0.94 112.144 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.29 55.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 1.47 111.037 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.87 -30.99 56.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 3.69 110.638 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.43 16.89 51.78 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.23 111.548 -176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.95 148.1 18.89 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.086 -0.578 . . . . 1.27 112.034 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.52 127.19 20.13 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.819 2.346 . . . . 1.94 112.578 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 tp -90.5 114.69 26.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.118 -0.492 . . . . 3.02 110.161 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 m -110.76 172.24 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 1.88 110.318 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.61 24.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.945 0.402 . . . . 1.51 110.924 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -105.44 139.86 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 2.04 110.457 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.94 171.63 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.157 -0.474 . . . . 2.05 109.785 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.96 -31.03 44.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.888 0.375 . . . . 1.28 111.082 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -93.18 5.67 50.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.272 0.558 . . . . 2.28 110.768 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.1 m -68.15 136.43 53.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.962 0.411 . . . . 1.53 110.651 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.0 130.72 36.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.88 -0.785 . . . . 3.63 108.88 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 86.5 m-85 -58.89 -39.63 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 0.66 111.842 -174.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.577 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 22.7 m -65.09 -41.08 95.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.017 0.437 . . . . 2.06 110.308 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.66 -28.38 65.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.615 -0.721 . . . . 2.2 110.304 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.5 tp -74.17 -20.13 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.626 -0.716 . . . . 2.05 110.713 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 7.94 12.04 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.86 -0.686 . . . . 0.69 113.13 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.4 mm? -104.57 123.2 47.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.35 . . . . 1.79 110.056 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 t -79.28 173.47 12.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.378 -0.601 . . . . 2.07 109.378 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 p -57.01 -40.87 77.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.88 0.371 . . . . 1.87 110.652 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.26 -43.47 98.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 2.68 110.6 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB3' HD11 ' A' ' 43' ' ' LEU . 19.8 m-20 -66.99 -42.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.819 -0.628 . . . . 1.11 109.995 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.0 tp -62.6 -40.91 98.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.476 -0.784 . . . . 2.07 110.436 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.05 87.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.878 0.37 . . . . 1.29 110.59 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -66.31 -42.08 88.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 1.24 110.089 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.4 tp -61.01 -47.83 84.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.18 111.091 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.6 mt -63.7 -43.72 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.35 111.317 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 p -67.77 -38.57 83.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 1.66 111.132 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 1.65 110.472 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.13 -36.84 75.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 1.79 110.267 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.92 -43.65 94.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.855 -0.611 . . . . 1.81 110.267 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.13 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.38 111.35 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.63 -48.47 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.365 . . . . 1.33 110.74 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.496 ' HH ' HG22 ' A' ' 10' ' ' VAL . 60.3 m-85 -85.28 -44.91 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 1.39 111.821 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 121.017 -0.611 . . . . 1.23 111.945 -176.555 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 112.281 0.474 . . . . 2.04 112.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 m -75.37 -24.4 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.457 . . . . 2.4 110.444 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.14 98.56 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.509 . . . . 1.26 109.696 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.45 -60.38 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.047 -0.524 . . . . 1.5 110.715 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -111.17 174.84 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 1.33 110.909 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 83.2 t -59.57 -35.78 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.181 0.515 . . . . 1.35 110.084 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.03 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.431 -0.804 . . . . 1.18 111.713 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.09 -35.53 81.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 2.04 110.71 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.7 tp -80.8 -50.75 9.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 1.19 110.913 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.21 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 1.09 111.88 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.99 -31.88 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 4.78 110.841 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.66 -56.5 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 1.29 111.017 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -66.37 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.561 -0.29 . . . . 1.31 111.343 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.63 61.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 1.17 111.627 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 3.47 110.927 176.614 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.173 0.511 . . . . 2.92 109.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -67.08 -40.46 86.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 3.62 109.551 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.75 -46.44 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.614 . . . . 3.04 111.623 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.39 -29.23 41.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.998 0.428 . . . . 2.07 110.084 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.7 tpt -68.1 -39.6 82.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.485 -0.561 . . . . 1.33 109.485 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.58 -40.96 84.64 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.942 -0.572 . . . . 1.36 110.369 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.28 -51.99 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.345 -0.843 . . . . 3.26 110.806 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.86 -43.96 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 2.02 111.407 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.447 -0.342 . . . . 0.77 111.316 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.9 -33.31 75.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.55 110.146 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 56.3 tp60 -63.32 -55.06 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 1.98 110.605 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.2 m -63.91 -36.2 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 1.69 110.991 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.73 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.982 0.42 . . . . 1.09 110.106 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 51.7 t-80 -56.73 -44.58 81.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 2.67 110.501 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -63.87 -41.86 97.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 1.77 110.838 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.8 mt -58.72 -46.73 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.19 110.362 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -34.77 76.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.717 -0.674 . . . . 1.19 111.485 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -72.14 -43.32 64.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.62 0.248 . . . . 2.84 111.041 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.8 -44.84 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 1.28 110.554 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.34 -37.41 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 2.34 110.633 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.67 95.13 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.113 -0.565 . . . . 0.94 112.381 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.45 -18.15 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.112 0.482 . . . . 1.47 110.968 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -82.72 -20.75 35.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 3.69 110.292 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 9.38 44.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.73 . . . . 1.23 111.992 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.87 157.84 23.03 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.993 -0.622 . . . . 1.27 111.97 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.86 157.29 47.69 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.775 2.316 . . . . 1.94 111.768 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -74.58 108.69 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.53 -0.915 . . . . 3.02 108.53 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 m -87.97 156.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 1.88 111.364 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.07 100.16 8.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 1.51 109.581 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.12 114.5 17.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.82 -0.627 . . . . 2.04 110.821 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 24.7 mm-40 -95.2 153.03 17.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.273 -0.64 . . . . 2.05 109.273 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -64.86 -26.52 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.093 0.473 . . . . 1.28 110.822 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -98.64 4.77 48.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 2.28 111.337 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.516 ' OG ' ' HB2' ' A' ' 33' ' ' GLU . 73.6 m -67.01 117.67 9.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.411 . . . . 1.53 111.3 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -69.41 126.31 29.38 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.296 -1.001 . . . . 3.63 108.296 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CG ' HD22 ' A' ' 48' ' ' LEU . 45.9 m-85 -49.93 -53.0 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.791 0.663 . . . . 0.66 112.791 -169.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.0 m -66.01 -29.27 69.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.738 0.304 . . . . 2.06 111.465 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.42 -30.49 64.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 2.2 110.292 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 tp -79.77 -17.24 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 2.05 110.654 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.22 5.0 15.37 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.839 -0.696 . . . . 0.69 112.999 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.88 103.42 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.959 0.409 . . . . 1.79 110.169 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 -178.99 7.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.191 -0.458 . . . . 2.07 111.399 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -50.54 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 1.87 111.87 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.1 -40.99 91.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 2.68 110.815 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 -41.24 98.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 1.11 110.445 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD22 ' CG ' ' A' ' 38' ' ' PHE . 34.6 mt -59.41 -47.53 85.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 2.07 111.28 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -47.17 80.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 1.29 110.398 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -65.1 -43.34 92.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 1.24 110.871 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.03 -54.11 48.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 1.18 111.342 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.435 HG22 ' HH ' ' A' ' 83' ' ' TYR . 35.1 mt -67.43 -28.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.337 -0.392 . . . . 1.35 110.898 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -66.5 -41.71 88.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.841 0.353 . . . . 1.66 110.577 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.18 -36.57 77.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 1.65 109.837 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.57 -36.19 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 1.79 110.417 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.68 -45.36 81.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.181 -0.463 . . . . 1.81 110.219 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.06 63.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 1.38 111.421 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.49 -50.94 19.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.414 -0.357 . . . . 1.33 110.798 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.76 -32.62 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 1.39 112.119 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.184 0 C-N-CA 121.024 -0.608 . . . . 1.23 112.033 -177.246 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.786 0.327 . . . . 2.04 111.642 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -79.93 -19.26 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.382 -0.599 . . . . 2.4 109.382 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.93 89.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.666 -0.697 . . . . 1.26 109.419 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.06 -51.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.129 -0.487 . . . . 1.5 110.551 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -107.22 162.43 13.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.128 -0.487 . . . . 1.33 110.583 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.52 -37.73 53.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 1.35 110.192 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.94 -38.7 62.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.649 -0.705 . . . . 1.18 111.681 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -63.52 -48.27 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 2.04 110.918 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.5 tp -70.96 -42.72 69.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 1.19 110.48 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.28 83.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 1.09 111.39 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 47.8 mtm105 -62.04 -36.11 80.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.718 -0.219 . . . . 4.78 111.288 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.16 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 1.29 110.918 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.435 ' HH ' HG22 ' A' ' 52' ' ' ILE . 88.0 m-85 -82.25 -12.57 57.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 1.31 111.39 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.57 -24.52 61.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 1.17 110.131 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 79.7 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 3.47 110.393 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.849 0.357 . . . . 2.92 110.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -63.12 -36.04 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 3.62 110.619 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 92.1 mt-30 -63.59 -50.86 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 3.04 110.108 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.2 -36.54 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 2.07 110.463 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.51 -37.03 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.749 -0.66 . . . . 1.33 110.849 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.12 -37.98 87.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.08 0.467 . . . . 1.36 110.089 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 92.1 mt-30 -63.95 -46.42 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 3.26 111.16 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.894 HG22 ' HH ' ' A' ' 59' ' ' TYR . 8.9 p -70.84 -35.52 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.955 -0.298 . . . . 2.02 110.533 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' HG22 ' A' ' 14' ' ' VAL . 55.2 t80 -63.12 -43.75 97.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.641 0.257 . . . . 0.77 110.413 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.09 -36.25 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.55 110.933 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 11.7 tt0 -77.35 -45.2 26.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.988 -0.551 . . . . 1.98 111.053 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.5 m -66.03 -33.76 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.723 -0.391 . . . . 1.69 110.303 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.37 -45.87 90.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.184 0.516 . . . . 1.09 109.784 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 32.5 t-80 -62.32 -40.7 97.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 2.67 110.415 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 12.5 mm100 -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 1.77 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.9 mt -58.67 -45.32 90.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.15 0.5 . . . . 1.19 109.851 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.0 71.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.74 . . . . 1.19 111.371 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.3 mm-40 -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 2.84 110.349 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.5 -42.33 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.28 110.248 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 84.8 mt -60.67 -41.76 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 2.34 110.403 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.95 -36.16 90.57 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.718 -0.674 . . . . 0.94 112.114 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -32.64 74.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 1.47 110.745 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -77.44 -22.18 51.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 3.69 110.37 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.07 22.31 78.03 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.319 -0.855 . . . . 1.23 111.563 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.09 177.56 33.97 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.791 -0.719 . . . . 1.27 112.794 -174.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.97 146.13 51.9 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.182 2.588 . . . . 1.94 111.939 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.63 134.53 48.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 3.02 110.369 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.05 171.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.991 -0.55 . . . . 1.88 110.506 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 106.13 18.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.721 -0.474 . . . . 1.51 109.721 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.36 112.15 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.428 0.632 . . . . 2.04 112.149 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -112.81 174.65 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.948 -0.76 . . . . 2.05 108.948 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -72.09 -26.35 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.466 0.65 . . . . 1.28 110.141 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.39 2.53 52.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 2.28 111.026 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -75.55 143.24 42.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.112 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -90.04 140.27 29.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.026 -0.731 . . . . 3.63 109.026 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -64.69 -16.77 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.478 0.547 . . . . 0.66 112.478 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 t -65.21 -34.91 79.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.101 0.477 . . . . 2.06 109.819 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.24 -12.3 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 2.2 110.204 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.05 1.95 39.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.604 -0.726 . . . . 2.05 110.777 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 31.34 68.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.69 112.564 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 mt -119.24 119.35 33.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.9 0.381 . . . . 1.79 110.59 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 t -96.47 -173.47 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 2.07 110.391 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 t -58.62 -41.55 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.004 0.431 . . . . 1.87 110.774 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.98 -39.5 93.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.353 0.597 . . . . 2.68 110.541 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -71.2 -35.95 71.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 1.11 109.928 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 52' ' ' ILE . 29.3 mt -60.88 -49.76 76.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.882 -0.599 . . . . 2.07 110.814 175.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.5 71.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.283 0.563 . . . . 1.29 110.585 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 m -69.13 -44.0 73.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 1.24 110.804 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.36 -45.44 91.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 1.18 111.096 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 48' ' ' LEU . 68.4 mt -60.55 -37.49 75.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 1.35 110.424 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m -69.51 -35.05 75.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.376 -0.375 . . . . 1.66 110.803 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.06 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 1.65 110.914 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 tp -87.22 -31.24 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.139 0.495 . . . . 1.79 110.17 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.27 -48.52 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.452 -0.795 . . . . 1.81 110.94 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.32 -9.3 46.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 1.38 111.936 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.19 -46.03 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.578 -0.283 . . . . 1.33 110.871 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.894 ' HH ' HG22 ' A' ' 10' ' ' VAL . 32.2 m-85 -98.07 -19.05 18.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.141 0.423 . . . . 1.39 112.141 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.442 0 C-N-CA 120.72 -0.753 . . . . 1.23 111.572 -177.116 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 2.04 111.384 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -68.85 -22.26 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 2.4 110.518 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -81.46 96.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.948 -0.569 . . . . 1.26 110.338 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.55 -53.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 1.5 110.086 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -117.98 176.85 5.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.205 -0.452 . . . . 1.33 110.88 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.54 -35.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.607 -0.516 . . . . 1.35 109.607 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.71 71.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.382 -0.827 . . . . 1.18 111.659 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.6 -45.32 85.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.018 0.437 . . . . 2.04 110.816 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.14 -47.23 45.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 1.19 110.984 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.27 64.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 1.09 111.742 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -66.72 -23.27 66.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 4.78 111.222 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.85 -53.22 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.413 -0.358 . . . . 1.29 110.376 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -79.6 -20.96 45.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 1.31 111.303 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -28.17 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 1.17 110.734 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 3.47 110.842 177.47 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.838 0.351 . . . . 2.92 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.08 -29.5 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.302 -0.408 . . . . 3.62 110.505 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.41 -52.82 50.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 3.04 110.751 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.79 -29.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 2.07 110.477 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.1 tpt -62.98 -44.94 94.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.709 -0.478 . . . . 1.33 109.709 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.0 -38.43 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.36 110.351 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.1 -51.28 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 3.26 110.447 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.11 -45.11 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.607 -0.724 . . . . 2.02 110.686 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.437 ' HA ' HG21 ' A' ' 14' ' ' VAL . 90.1 t80 -61.75 -45.85 92.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.77 110.833 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.96 -40.6 85.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 0.55 110.799 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.5 -46.1 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.895 -0.593 . . . . 1.98 111.062 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 18' ' ' ILE . 20.6 m -70.55 -35.71 62.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.84 -0.344 . . . . 1.69 110.469 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.08 -48.57 79.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.183 0.516 . . . . 1.09 110.065 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.08 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.322 -0.853 . . . . 2.67 110.047 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 21' ' ' VAL . 2.9 tp-100 -69.99 -42.35 73.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.976 -0.556 . . . . 1.77 110.598 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' VAL . 97.6 mt -58.94 -47.34 90.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.914 0.388 . . . . 1.19 110.34 176.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.99 81.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.763 -0.653 . . . . 1.19 110.77 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -62.51 -44.63 95.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 2.84 110.861 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' GLN . 84.5 t -63.6 -43.19 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 1.28 110.675 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.55 -44.69 95.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 2.34 110.765 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.54 -36.2 87.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.83 -0.623 . . . . 0.94 112.16 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.3 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 1.47 110.841 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.02 -10.32 59.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 3.69 111.087 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.15 76.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.939 -0.648 . . . . 1.23 111.793 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.76 167.62 25.77 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.933 -0.651 . . . . 1.27 112.193 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.23 124.62 14.19 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.844 2.363 . . . . 1.94 112.052 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.1 tp -71.46 109.48 5.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.126 0.488 . . . . 3.02 110.205 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.95 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.592 -0.731 . . . . 1.88 110.703 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.07 90.79 7.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 1.51 110.146 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -77.37 122.69 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.893 -0.594 . . . . 2.04 110.687 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.33 179.86 4.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.583 -0.735 . . . . 2.05 110.163 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -61.37 -41.03 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 112.306 0.484 . . . . 1.28 112.306 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.23 22.65 13.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.913 0.387 . . . . 2.28 111.452 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.5 m -75.75 140.97 42.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.322 -0.399 . . . . 1.53 110.395 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 49.5 mtp180 -94.99 127.97 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.205 0.526 . . . . 3.63 109.816 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CG ' HD21 ' A' ' 48' ' ' LEU . 62.8 m-85 -56.11 -37.46 69.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.985 -1.007 . . . . 0.66 112.424 -172.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -59.42 -42.2 91.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.137 0.494 . . . . 2.06 111.031 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.28 -15.22 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 2.2 110.759 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 88.5 mt -88.22 -20.79 25.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.48 . . . . 2.05 110.781 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.62 17.34 10.58 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.8 -0.714 . . . . 0.69 112.491 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.3 mm? -105.45 100.19 9.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.829 -0.434 . . . . 1.79 109.829 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -83.54 -173.03 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.204 -0.453 . . . . 2.07 110.344 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 m -57.5 -49.43 76.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 1.87 111.131 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.19 -37.07 86.14 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.247 -0.433 . . . . 2.68 110.759 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.04 -45.74 90.82 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.945 -0.391 . . . . 1.11 109.945 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 38' ' ' PHE . 51.7 mt -63.03 -48.16 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 2.07 111.211 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.19 -42.32 69.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 1.29 110.658 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -71.48 -46.06 60.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 1.24 110.629 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.57 -49.74 76.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 1.18 111.517 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.2 mt -63.64 -38.36 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.711 0.291 . . . . 1.35 110.57 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 35.1 m -70.0 -34.87 73.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 1.66 110.375 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -69.04 -30.67 69.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.862 -0.608 . . . . 1.65 109.837 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.13 -21.72 49.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.568 . . . . 1.79 110.806 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 53' ' ' SER . 25.4 tt0 -62.34 -37.97 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.286 0.565 . . . . 1.81 109.668 173.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 -11.52 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 1.38 110.672 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.5 t -92.43 -59.11 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.822 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -96.22 -50.26 4.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.39 111.293 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 121.064 -0.588 . . . . 1.23 112.331 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 2.04 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -78.59 -18.43 54.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.003 -0.544 . . . . 2.4 110.261 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.96 89.4 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.525 -0.546 . . . . 1.26 109.525 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.92 -49.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.093 -0.503 . . . . 1.5 110.609 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 p -107.97 165.79 11.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 1.33 110.68 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.69 -37.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.826 0.346 . . . . 1.35 110.115 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 81' ' ' ARG . . . -51.76 -44.69 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 1.18 111.807 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -58.67 -41.13 85.44 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.941 0.401 . . . . 2.04 111.05 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.8 tp -79.42 -40.34 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 1.19 110.762 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.1 81.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 1.09 111.176 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 5.7 ptp180 -65.46 -25.53 67.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.733 -0.212 . . . . 4.78 111.016 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.61 28.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.923 0.392 . . . . 1.29 110.563 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -75.44 -23.07 56.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 1.31 111.531 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.52 -17.68 50.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.345 . . . . 1.17 111.399 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.323 -0.398 . . . . 3.47 110.556 178.11 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 121.143 0.497 . . . . 2.92 110.527 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -83.48 -27.22 29.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.175 -0.466 . . . . 3.62 110.672 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -66.0 -48.76 70.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 3.04 110.546 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.01 -29.66 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.992 0.425 . . . . 2.07 110.209 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.49 -41.15 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.013 -0.54 . . . . 1.33 109.745 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.54 -31.85 73.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.68 -0.691 . . . . 1.36 110.842 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.77 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 3.26 110.063 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.46 -41.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 2.02 110.23 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 14' ' ' VAL . 57.4 t80 -61.72 -38.81 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.77 110.651 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.71 -36.55 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.55 110.637 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.05 -43.27 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 1.98 110.947 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 11' ' ' PHE . 15.9 m -70.71 -36.37 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.66 -0.416 . . . . 1.69 110.144 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.28 -46.56 89.83 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.674 -0.491 . . . . 1.09 109.674 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -55.47 -48.36 74.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.236 -0.893 . . . . 2.67 110.129 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -63.25 -46.6 86.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 1.77 111.613 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.4 mt -58.12 -49.0 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 1.19 110.855 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.13 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 1.19 110.981 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.45 -46.56 79.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 2.84 110.718 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.83 -60.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.11 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.29 -45.9 92.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 2.34 111.458 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.31 93.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.052 -0.594 . . . . 0.94 112.96 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 1.47 111.239 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -90.01 6.26 43.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 3.69 111.114 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.18 23.76 73.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.858 -0.686 . . . . 1.23 112.727 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.13 164.78 53.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.934 -0.651 . . . . 1.27 112.015 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 137.09 41.34 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.574 2.183 . . . . 1.94 111.873 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.0 108.69 7.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 3.02 109.843 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 m -113.47 149.28 15.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.716 -0.674 . . . . 1.88 110.587 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.61 93.11 8.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.936 0.398 . . . . 1.51 110.595 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.19 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.519 . . . . 2.04 110.378 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -117.81 157.32 26.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.887 -0.597 . . . . 2.05 109.776 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -68.83 -20.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.186 0.517 . . . . 1.28 110.422 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -100.5 -5.48 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 2.28 111.616 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.5 p -86.28 156.59 20.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.925 0.393 . . . . 1.53 111.293 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HG2' HG11 ' A' ' 74' ' ' VAL . 78.3 mtp180 -86.37 138.89 31.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.828 -0.623 . . . . 3.63 109.771 176.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 90.5 m-85 -56.85 -28.81 62.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.916 -0.584 . . . . 0.66 111.212 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 m -61.03 -34.61 75.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.64 . . . . 2.06 111.214 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.32 -29.64 64.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.014 0.435 . . . . 2.2 110.791 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.99 -6.66 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 2.05 110.291 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.02 35.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.976 -0.63 . . . . 0.69 112.463 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -102.47 108.59 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.807 0.337 . . . . 1.79 110.44 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 t -89.08 -177.38 5.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.158 -0.474 . . . . 2.07 109.786 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -60.34 -41.17 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 1.87 110.529 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.72 -39.81 90.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 2.68 110.747 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.91 -45.73 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 1.11 110.033 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -36.33 82.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.513 -0.767 . . . . 2.07 111.421 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.11 75.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 1.29 110.403 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 m -69.51 -45.28 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.654 . . . . 1.24 110.613 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.89 -53.38 58.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.568 -0.742 . . . . 1.18 111.228 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.83 -31.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.91 -0.586 . . . . 1.35 110.874 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.7 m -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.66 110.828 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.6 m-20 -69.65 -39.91 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 1.65 110.192 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -38.89 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.756 -0.656 . . . . 1.79 110.352 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.64 -45.51 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.578 -0.737 . . . . 1.81 110.394 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.58 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 1.38 111.554 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.6 t -70.16 -39.58 77.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 1.33 111.264 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.18 -46.8 6.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.911 0.386 . . . . 1.39 111.398 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 111.317 -0.713 . . . . 1.23 111.317 -175.211 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.193 0.52 . . . . 2.04 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -90.88 -10.91 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.309 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -85.41 97.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.463 -0.569 . . . . 1.26 109.463 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.403 HG11 ' HG2' ' A' ' 37' ' ' ARG . 59.6 t -105.98 -60.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.057 -0.519 . . . . 1.5 110.893 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -95.18 156.66 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.099 -0.501 . . . . 1.33 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 61.3 t -63.29 -28.88 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.35 110.094 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.66 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.538 -0.755 . . . . 1.18 111.586 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.85 -40.94 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 2.04 111.103 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.0 tp -71.45 -47.01 58.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.637 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.81 96.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 1.09 111.007 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.53 -31.67 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 4.78 111.034 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.54 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 1.29 111.165 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.36 -14.41 38.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 1.31 110.97 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.66 -32.01 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 1.17 110.893 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 3.47 111.336 -178.59 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 121.181 0.515 . . . . 2.92 109.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -76.36 -28.94 57.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 3.62 110.633 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.62 -54.89 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 3.04 110.898 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -63.93 -36.21 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 2.07 110.653 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 tpt -64.67 -39.3 93.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 1.33 110.076 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.92 -40.62 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 1.36 110.312 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.61 -44.52 93.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.893 -0.594 . . . . 3.26 110.526 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.45 HG13 ' HH ' ' A' ' 59' ' ' TYR . 87.0 t -66.99 -43.56 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.958 -0.565 . . . . 2.02 110.879 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -61.63 -42.33 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.558 -0.292 . . . . 0.77 110.797 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.94 -36.56 84.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.55 110.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.59 -53.39 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.607 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.17 -34.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 120.538 0.208 . . . . 1.69 110.871 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.59 -44.81 95.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.094 0.473 . . . . 1.09 110.328 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 11.1 t-160 -74.57 -38.5 62.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.933 -0.576 . . . . 2.67 110.825 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.04 -45.64 92.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 1.77 110.812 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.79 -42.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 1.19 110.391 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.37 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 1.19 111.224 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 14.5 mm100 -69.55 -43.99 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 2.84 110.746 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.81 -49.22 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 1.28 110.441 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.43 -38.6 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 2.34 111.087 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.32 -43.6 96.67 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.963 -0.637 . . . . 0.94 112.258 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.61 70.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 1.47 110.925 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -67.69 -27.51 66.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 3.69 110.741 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.08 54.44 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.742 -0.663 . . . . 1.23 111.744 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.47 166.0 29.04 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.896 -0.668 . . . . 1.27 112.084 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.25 137.53 26.13 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.879 2.386 . . . . 1.94 111.807 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' ' 29' ' ' LEU . 3.8 pp -63.77 146.03 54.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 3.02 110.572 178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.4 164.28 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.837 0.351 . . . . 1.88 111.326 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 102.72 14.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.6 . . . . 1.51 109.916 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 p -90.11 122.17 41.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 2.04 111.438 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.39 169.95 8.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.343 -0.844 . . . . 2.05 109.762 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 tp -70.36 -38.87 75.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.885 0.374 . . . . 1.28 110.753 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -91.86 14.35 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 2.28 110.853 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 t -79.2 144.15 34.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.957 0.408 . . . . 1.53 110.746 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -89.59 133.28 34.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.75 -0.659 . . . . 3.63 109.845 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 m-85 -57.93 -39.03 77.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.149 -0.932 . . . . 0.66 112.411 -173.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.0 m -69.7 -25.64 63.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.24 . . . . 2.06 111.337 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.54 -24.92 45.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.305 0.574 . . . . 2.2 109.784 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.37 -15.33 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 2.05 110.561 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.75 -6.79 25.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.698 -0.763 . . . . 0.69 112.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.74 104.18 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.189 -0.3 . . . . 1.79 110.189 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -78.03 -176.57 4.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.659 -0.497 . . . . 2.07 109.659 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.8 t -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.782 0.325 . . . . 1.87 110.886 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.49 -43.39 73.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.243 -0.435 . . . . 2.68 110.942 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.28 -44.38 95.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.317 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 tp -60.12 -44.04 95.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.07 110.556 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.38 86.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.13 0.49 . . . . 1.29 110.613 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -64.16 -41.97 96.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 1.24 110.436 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.43 -49.45 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 1.18 110.785 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 48' ' ' LEU . 65.9 mt -58.54 -49.06 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.35 111.112 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.7 m -57.99 -40.22 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 1.66 111.318 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 58' ' ' VAL . 20.9 m-80 -72.84 -42.55 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.429 -0.351 . . . . 1.65 111.007 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.26 -40.69 96.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 1.79 110.574 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.06 -43.4 82.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.45 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.36 73.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 1.38 111.349 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 54' ' ' ASN . 74.6 t -58.66 -49.23 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 1.33 110.746 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' HH ' HG13 ' A' ' 10' ' ' VAL . 86.4 m-85 -82.79 -38.51 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.976 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.772 -0.728 . . . . 1.23 112.016 -179.77 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.919 0.39 . . . . 2.04 111.28 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -86.79 -9.85 54.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.231 -0.44 . . . . 2.4 110.345 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 mm -97.09 89.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.791 -0.448 . . . . 1.26 109.791 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.97 -42.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.18 -0.464 . . . . 1.5 110.547 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 p -107.36 159.64 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.14 -0.482 . . . . 1.33 110.845 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 98.8 t -54.28 -43.0 59.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.894 0.378 . . . . 1.35 110.617 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.0 58.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.446 -0.797 . . . . 1.18 112.085 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.12 -50.96 71.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.438 . . . . 2.04 110.768 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.1 -37.17 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 1.19 110.607 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.78 71.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.516 . . . . 1.09 111.348 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.11 -19.24 64.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.536 -0.302 . . . . 4.78 111.167 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.12 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 1.29 110.528 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -84.77 -22.29 29.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 1.31 111.084 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -8.24 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 1.17 110.674 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.554 -0.748 . . . . 3.47 110.497 176.459 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 121.115 0.483 . . . . 2.92 110.113 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 3.62 110.854 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.19 -50.2 66.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 3.04 110.569 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.58 -28.94 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.944 0.402 . . . . 2.07 110.223 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.6 tpt -71.78 -39.71 69.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.02 -0.536 . . . . 1.33 109.841 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -36.72 82.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.707 -0.679 . . . . 1.36 110.276 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.87 -49.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 3.26 111.648 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.51 -34.73 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.816 -0.354 . . . . 2.02 110.393 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HA ' HG21 ' A' ' 14' ' ' VAL . 92.3 t80 -65.96 -41.51 91.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.77 110.056 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.86 -38.57 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.55 110.576 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -66.25 -53.95 30.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.98 110.661 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -66.11 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.638 -0.255 . . . . 1.69 111.003 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.04 -50.92 71.78 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.228 0.537 . . . . 1.09 109.885 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.47 -37.99 88.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.535 -0.757 . . . . 2.67 110.439 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.7 tp60 -61.78 -45.61 93.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 1.77 110.363 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.8 mt -62.1 -43.06 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.525 . . . . 1.19 110.365 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.65 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.19 111.049 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.93 -41.68 99.55 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.386 -0.37 . . . . 2.84 110.774 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 65.0 t -65.26 -44.96 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 1.28 110.437 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 89.9 mt -59.92 -44.12 94.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 2.34 110.416 177.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.57 -37.29 94.53 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.94 112.188 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.83 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 1.47 110.958 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -74.65 -14.97 60.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 3.69 110.855 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.46 23.04 74.41 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 1.23 111.877 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.19 171.26 28.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.826 -0.702 . . . . 1.27 111.95 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.09 143.19 43.86 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.819 2.346 . . . . 1.94 111.795 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.3 109.32 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.268 -0.424 . . . . 3.02 110.07 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.81 172.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.886 -0.597 . . . . 1.88 110.831 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.42 106.34 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.352 -0.385 . . . . 1.51 110.812 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.16 115.11 42.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.39 0.614 . . . . 2.04 110.651 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' H ' ' HB2' ' A' ' 36' ' ' SER . 46.1 mt-10 -113.73 173.08 6.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.83 -0.623 . . . . 2.05 110.294 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.09 -41.01 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.871 0.323 . . . . 1.28 111.871 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.41 33.86 3.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.458 0.647 . . . . 2.28 109.927 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 75' ' ' THR . 7.4 t -89.96 159.81 16.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.097 -0.501 . . . . 1.53 110.257 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' HD11 ' A' ' 41' ' ' LEU . 60.9 mtm180 -106.99 126.12 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 3.63 110.91 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 83.9 m-85 -54.39 -36.02 63.48 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.497 -0.774 . . . . 0.66 111.185 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -56.21 -45.3 79.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 2.06 111.234 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.12 -31.13 62.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 2.2 110.715 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 37' ' ' ARG . 8.0 mp -68.24 -19.77 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.641 . . . . 2.05 111.254 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 -7.57 21.39 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.679 -0.772 . . . . 0.69 111.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.57 99.48 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.919 0.39 . . . . 1.79 109.957 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -85.69 -170.68 3.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.387 -0.597 . . . . 2.07 109.387 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -54.82 -48.79 72.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.991 0.367 . . . . 1.87 111.991 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.88 -41.71 82.37 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.005 0.431 . . . . 2.68 110.962 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -42.42 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 1.11 109.95 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' O ' HG12 ' A' ' 52' ' ' ILE . 59.8 tp -62.56 -48.32 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.53 -0.759 . . . . 2.07 110.652 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.94 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 1.29 110.78 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.0 m -68.52 -42.94 77.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.837 -0.62 . . . . 1.24 110.399 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 1.18 110.67 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 48' ' ' LEU . 46.2 mm -59.26 -48.54 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 1.35 109.985 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -59.02 -36.48 75.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 1.66 110.942 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.65 110.789 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.03 -36.74 72.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 1.79 110.64 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -56.84 -43.07 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.916 -0.584 . . . . 1.81 109.882 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.68 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.978 -0.556 . . . . 1.38 111.651 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -74.76 -40.84 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 1.33 111.174 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.36 -48.96 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.971 0.36 . . . . 1.39 111.971 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.935 -0.65 . . . . 1.23 111.642 -175.134 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.956 0.408 . . . . 2.04 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -78.24 -17.67 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.4 110.398 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.58 87.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.374 0.607 . . . . 1.26 109.832 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 58.9 t -128.87 -45.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.838 -0.801 . . . . 1.5 108.838 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' SER . 21.8 m -83.15 134.76 34.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.168 -0.924 . . . . 1.33 109.111 173.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 t -58.09 -36.27 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.982 -0.554 . . . . 1.35 111.356 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -30.96 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 1.18 111.814 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.25 -47.4 73.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.095 0.474 . . . . 2.04 109.818 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.66 -42.53 95.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 1.19 110.421 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.24 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.646 -0.706 . . . . 1.09 110.588 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.77 -39.71 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 4.78 110.774 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.01 86.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 1.29 111.677 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -90.56 -10.2 44.32 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.907 -0.317 . . . . 1.31 111.745 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.08 -23.74 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.685 0.279 . . . . 1.17 110.957 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 3.47 111.158 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.838 0.351 . . . . 2.92 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -66.16 -40.83 90.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 3.62 110.573 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.35 -50.52 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.475 . . . . 3.04 110.953 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.2 p -67.43 -36.64 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.885 -0.326 . . . . 2.07 110.597 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.86 -42.45 90.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.787 0.327 . . . . 1.33 110.368 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.17 -41.56 99.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.36 110.01 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -60.51 -44.32 96.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 3.26 110.504 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.5 t -62.8 -51.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.932 -0.577 . . . . 2.02 110.7 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.02 -36.17 80.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.77 110.581 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.61 -43.89 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.082 0.468 . . . . 0.55 110.418 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 51.8 tp60 -70.91 -40.52 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 1.98 110.545 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 10' ' ' VAL . 99.8 t -61.26 -46.2 97.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.933 -0.395 . . . . 1.69 109.933 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.63 -44.78 69.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.742 -0.663 . . . . 1.09 110.5 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 56.9 t-80 -59.79 -40.8 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 2.67 110.889 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 9.3 mm100 -73.08 -34.32 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 1.77 110.623 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.2 mt -65.59 -42.16 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.853 -0.425 . . . . 1.19 109.853 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.88 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 1.19 110.575 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 15.2 mm-40 -54.96 -47.38 74.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.993 -0.549 . . . . 2.84 110.42 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 61.0 t -60.34 -63.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.637 . . . . 1.28 110.988 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.04 -41.46 87.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.504 -0.316 . . . . 2.34 111.325 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -48.06 79.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.952 -0.642 . . . . 0.94 112.659 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -19.81 61.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.733 0.272 . . . . 1.47 111.733 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 31.5 mmmt -76.67 -22.03 54.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.907 0.384 . . . . 3.69 110.82 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.96 18.62 77.81 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.847 -0.615 . . . . 1.23 112.035 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.18 -153.79 30.52 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.849 -0.691 . . . . 1.27 112.479 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.65 131.17 12.21 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.664 2.242 . . . . 1.94 112.029 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.07 109.97 19.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 3.02 110.542 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.91 162.23 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.915 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.98 114.54 26.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 1.51 110.364 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.14 125.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 2.04 111.144 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -116.65 175.45 5.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.673 -0.694 . . . . 2.05 109.833 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.97 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.936 -0.305 . . . . 1.28 111.387 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -96.44 19.21 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.776 0.287 . . . . 2.28 111.776 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -70.73 129.29 38.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.043 0.449 . . . . 1.53 111.261 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -81.26 128.39 33.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.494 -0.775 . . . . 3.63 109.098 175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -57.93 -32.85 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.66 111.81 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 p -64.22 -43.22 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.6 . . . . 2.06 110.784 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.48 -22.4 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.41 -0.814 . . . . 2.2 110.47 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -78.39 -21.08 49.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.589 . . . . 2.05 110.691 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.74 13.65 15.88 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.585 -0.817 . . . . 0.69 113.074 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.42 115.0 26.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.831 0.348 . . . . 1.79 110.121 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -77.89 175.36 10.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 2.07 109.635 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -54.99 -50.77 68.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.819 0.343 . . . . 1.87 110.915 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.52 -35.5 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 2.68 110.993 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.42 -41.68 88.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.11 110.433 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.3 tp -63.25 -45.17 92.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 2.07 110.014 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.19 87.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.29 110.907 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.2 m -65.42 -42.25 92.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 1.24 110.075 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.3 tp -58.71 -38.89 79.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 1.18 110.575 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 48' ' ' LEU . 50.8 mm -58.89 -42.95 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 1.35 110.379 177.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 t -65.51 -41.76 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 1.66 110.55 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.52 -31.71 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 1.65 111.053 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.9 -32.37 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 1.79 110.074 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.49 -38.0 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 1.81 110.283 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.76 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 1.38 111.68 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.9 -55.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.339 -0.391 . . . . 1.33 110.78 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -89.57 -20.1 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.952 0.353 . . . . 1.39 111.952 -174.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.196 0 CA-C-N 116.132 -0.486 . . . . 1.23 112.852 177.657 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.709 0.29 . . . . 2.04 111.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -80.5 -11.32 59.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.346 . . . . 2.4 110.833 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.2 mm -83.98 91.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.492 -0.559 . . . . 1.26 109.492 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.55 -52.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.199 -0.455 . . . . 1.5 110.577 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -103.47 160.23 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.231 -0.44 . . . . 1.33 110.844 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.4 -31.39 53.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.045 0.45 . . . . 1.35 110.088 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.52 -48.03 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 1.18 112.006 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.045 0.45 . . . . 2.04 110.793 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.84 -40.33 72.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 1.19 110.579 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.53 98.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 1.09 110.765 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 52.8 mtp180 -57.15 -41.49 79.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.156 -0.475 . . . . 4.78 110.933 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.21 82.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 1.29 111.131 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -81.45 -9.39 59.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 1.31 111.818 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' VAL . . . -78.2 -37.92 44.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.911 0.386 . . . . 1.17 110.472 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.075 -0.511 . . . . 3.47 110.094 178.096 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.2 t30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.076 0.465 . . . . 2.92 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -77.46 -37.54 51.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 3.62 110.235 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.22 -44.97 95.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 3.04 111.122 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.35 -33.76 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 2.07 110.789 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tpt -66.71 -43.87 83.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.355 0.598 . . . . 1.33 110.077 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.39 -29.99 67.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.714 -0.675 . . . . 1.36 110.488 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.35 -53.27 51.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.822 -0.627 . . . . 3.26 110.572 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.0 -30.82 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.407 -0.36 . . . . 2.02 110.78 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -64.87 -40.73 95.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.985 0.422 . . . . 0.77 110.236 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.33 -39.1 91.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.106 0.479 . . . . 0.55 110.277 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.54 -50.82 61.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.835 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.3 m -62.91 -33.31 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.098 0 C-N-CA 121.229 -0.188 . . . . 1.69 110.824 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.03 -49.99 75.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 1.09 109.888 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -63.03 -40.55 98.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.695 -0.684 . . . . 2.67 110.355 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' O ' HG21 ' A' ' 21' ' ' VAL . 16.2 mm100 -57.44 -53.45 57.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 1.77 110.658 176.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.1 mt -58.92 -44.17 90.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 1.19 110.71 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.93 93.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 1.19 111.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.09 -37.86 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.632 -0.258 . . . . 2.84 111.233 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 17' ' ' GLN . 73.3 t -62.0 -49.55 83.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.811 0.339 . . . . 1.28 110.573 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 2.34 110.43 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -42.75 97.24 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 116.019 -0.537 . . . . 0.94 112.586 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.095 0.474 . . . . 1.47 110.523 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -72.82 -24.59 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 3.69 110.529 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.06 24.34 55.23 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.242 -0.743 . . . . 1.23 111.242 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.56 176.92 40.27 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.14 -0.552 . . . . 1.27 112.611 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.86 124.51 12.38 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.02 2.48 . . . . 1.94 112.32 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.67 109.15 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.127 -0.488 . . . . 3.02 110.218 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.67 152.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 1.88 111.277 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 97.28 7.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 1.51 109.925 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.89 128.89 38.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.898 -0.592 . . . . 2.04 111.24 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -115.69 172.57 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.508 . . . . 2.05 110.181 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.884 0.374 . . . . 1.28 111.922 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -100.95 18.2 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.633 -0.258 . . . . 2.28 111.481 -173.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 m -78.56 141.0 38.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.765 0.317 . . . . 1.53 111.069 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 98.5 mtt180 -91.68 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 3.63 109.927 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -62.84 -28.65 70.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.66 111.933 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -59.98 -45.68 91.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 2.06 110.712 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.3 -10.92 59.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.667 -0.697 . . . . 2.2 110.852 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 93.7 mt -88.02 -6.51 57.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.118 -0.492 . . . . 2.05 110.868 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.26 37.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.619 -0.801 . . . . 0.69 112.961 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -96.89 127.55 42.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.059 -0.349 . . . . 1.79 110.059 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -93.14 -173.27 3.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.127 -0.323 . . . . 2.07 110.127 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -54.46 -51.29 65.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.053 0.39 . . . . 1.87 112.053 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.61 -39.71 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.528 0.204 . . . . 2.68 110.744 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.92 -42.5 94.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.11 110.447 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.34 -50.47 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 2.07 109.896 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.65 97.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 1.29 110.809 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.7 m -62.73 -39.78 95.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 1.24 110.621 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.88 -44.16 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.18 110.398 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.33 -43.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.516 . . . . 1.35 110.096 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -56.08 -41.74 75.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 1.66 110.563 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.4 m-20 -68.46 -38.09 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.65 110.926 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' CE1' ' A' ' 83' ' ' TYR . 31.2 tp -71.19 -35.68 71.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 1.79 110.681 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.04 -34.9 74.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 1.81 110.35 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.56 60.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 1.38 111.267 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.9 t -76.65 -50.98 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 1.33 110.992 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -87.0 -37.2 17.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.96 0.356 . . . . 1.39 111.96 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 111.243 -0.743 . . . . 1.23 111.243 -174.09 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.799 0.333 . . . . 2.04 111.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -76.3 -26.42 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 2.4 110.334 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mm -83.59 93.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.934 -0.575 . . . . 1.26 110.02 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.09 -53.34 7.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.5 110.511 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.8 p -107.5 168.06 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 1.33 111.142 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.03 -39.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.977 0.418 . . . . 1.35 110.188 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.2 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.564 -0.744 . . . . 1.18 111.645 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.32 -41.85 89.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 2.04 110.866 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.56 -43.22 49.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 1.19 110.347 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.67 98.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 1.09 111.05 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -56.51 -39.15 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 4.78 111.462 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 1.29 111.421 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 55' ' ' LEU . 96.5 m-85 -90.35 -12.16 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.33 -0.395 . . . . 1.31 111.256 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.57 -39.46 37.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 1.17 110.044 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 3.47 110.831 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 7' ' ' MET . 50.2 m-80 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.772 0.32 . . . . 2.92 110.432 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -79.6 -33.64 41.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 3.62 110.244 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -63.32 -53.19 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 3.04 110.732 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 12.0 p -65.78 -27.39 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 2.07 110.484 178.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 12.4 tpt -74.21 -34.19 63.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 1.33 110.46 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.74 -29.14 58.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.52 . . . . 1.36 109.705 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 41.3 tt0 -58.41 -56.87 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.499 -0.773 . . . . 3.26 110.411 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -31.19 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.19 -0.459 . . . . 2.02 110.626 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.3 . . . . 0.77 110.811 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.35 -36.93 81.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 0.55 109.982 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.501 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 61.2 tp60 -62.45 -55.15 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 1.98 110.793 177.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.3 m -67.8 -33.62 62.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.612 -0.267 . . . . 1.69 111.355 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.14 -46.99 87.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.922 0.392 . . . . 1.09 110.096 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -62.7 -39.2 93.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.769 -0.65 . . . . 2.67 110.199 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' HG21 ' A' ' 21' ' ' VAL . 88.2 mm-40 -66.54 -44.73 81.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.77 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 14' ' ' VAL . 82.6 mt -62.49 -46.39 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 1.19 110.416 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.21 -32.84 73.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 1.19 110.84 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -68.05 -48.97 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 2.84 110.543 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 17' ' ' GLN . 87.5 t -58.19 -47.59 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 1.28 110.799 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.26 -44.56 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 2.34 110.772 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -38.1 89.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.158 -0.544 . . . . 0.94 112.647 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.33 77.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.043 0.449 . . . . 1.47 110.715 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.83 -40.51 63.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.011 -0.54 . . . . 3.69 109.773 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 15.75 7.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.919 -0.658 . . . . 1.23 112.412 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.04 172.91 29.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.87 -0.681 . . . . 1.27 112.067 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.04 146.55 41.6 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.615 2.21 . . . . 1.94 111.74 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.46 107.97 9.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.1 0.476 . . . . 3.02 109.988 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -79.49 150.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.56 -0.745 . . . . 1.88 110.126 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.94 108.16 3.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 1.51 110.214 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.49 119.8 26.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.032 -0.531 . . . . 2.04 110.654 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 31.3 mt-10 -120.38 145.37 47.24 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.858 -0.793 . . . . 2.05 108.858 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -71.87 -24.0 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.28 111.694 -171.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -98.85 5.75 47.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.575 . . . . 2.28 110.153 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 34.3 t -83.94 160.95 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.012 -0.54 . . . . 1.53 110.181 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 37' ' ' ARG . 46.9 mtm180 -103.55 140.76 37.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.006 -0.543 . . . . 3.63 110.111 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 96.3 m-85 -61.53 -41.54 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.66 111.283 -176.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 21.0 t -69.66 -22.2 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.263 -0.426 . . . . 2.06 110.415 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.7 -33.99 34.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.103 0.478 . . . . 2.2 110.181 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.58 -18.66 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.664 -0.698 . . . . 2.05 111.07 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.98 3.8 17.33 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.631 -0.795 . . . . 0.69 112.661 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.0 mm? -87.04 115.2 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.31 -0.626 . . . . 1.79 109.31 176.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 t -76.49 -177.91 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.925 -0.398 . . . . 2.07 109.925 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -52.38 -51.23 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.393 -0.367 . . . . 1.87 111.551 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.66 -41.71 87.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 2.68 110.625 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -59.54 -41.28 89.71 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.978 -0.555 . . . . 1.11 110.509 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.8 tt -59.63 -49.08 79.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.762 -0.653 . . . . 2.07 109.881 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 1.29 111.239 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.2 m -65.8 -38.63 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 1.24 110.653 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . 66.0 tp -62.03 -40.0 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 1.18 110.282 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 48' ' ' LEU . 60.1 mt -58.94 -45.96 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 1.35 110.099 175.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 t -64.85 -22.79 67.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 1.66 111.009 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.2 m-20 -67.38 -47.01 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.189 -0.301 . . . . 1.65 110.189 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.14 -34.04 76.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.345 . . . . 1.79 110.249 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.04 -49.2 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.759 -0.655 . . . . 1.81 110.366 172.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 1.38 111.337 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.1 t -60.04 -56.84 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.33 111.417 -179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 83' ' ' TYR . 94.5 m-85 -80.39 -15.04 57.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 1.39 111.631 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 110.872 -0.891 . . . . 1.23 110.872 -176.264 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 111.976 0.361 . . . . 2.04 111.976 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -79.17 -15.38 58.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 2.4 111.1 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.04 89.67 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.142 0.496 . . . . 1.26 109.697 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.0 -60.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 1.5 110.794 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -111.27 170.62 7.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.227 -0.442 . . . . 1.33 111.522 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 t -61.36 -40.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.576 -0.284 . . . . 1.35 110.859 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.44 56.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 1.18 112.209 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.06 -53.82 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 2.04 110.387 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.7 tp -69.77 -33.43 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.681 -0.691 . . . . 1.19 110.751 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.4 -51.89 65.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 1.09 111.004 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -62.27 -32.74 73.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.854 0.359 . . . . 4.78 110.719 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.98 15.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 1.29 111.042 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.472 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 38.5 m-85 -79.58 -9.53 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.097 0.406 . . . . 1.31 112.097 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.56 61.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.17 110.236 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.958 -0.564 . . . . 3.47 111.246 179.134 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.008 0.432 . . . . 2.92 110.047 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -64.66 -42.5 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 3.62 111.156 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -61.04 -47.5 86.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 3.04 111.349 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.68 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 2.07 110.418 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.8 tpt -69.92 -43.57 71.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 1.33 110.187 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.89 -28.58 69.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.174 0.511 . . . . 1.36 110.214 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.12 -50.42 48.21 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.803 -0.635 . . . . 3.26 110.681 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.46 -35.96 64.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 2.02 110.696 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.419 ' HA ' HG22 ' A' ' 14' ' ' VAL . 80.7 t80 -61.74 -42.01 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.77 110.143 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.99 -42.5 90.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.55 110.558 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.87 -48.24 59.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 1.98 111.152 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -63.89 -37.49 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.718 -0.393 . . . . 1.69 110.737 -178.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.53 -43.01 98.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.283 0.564 . . . . 1.09 109.606 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -57.45 -38.58 74.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.078 -0.964 . . . . 2.67 110.744 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.5 mm100 -72.34 -43.5 64.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.391 -0.368 . . . . 1.77 110.689 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 14' ' ' VAL . 88.6 mt -59.88 -44.29 93.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.353 -0.385 . . . . 1.19 110.561 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 1.19 111.204 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.29 -42.71 83.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 2.84 111.148 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.9 t -63.98 -48.32 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 1.28 110.685 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.71 -44.06 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 2.34 110.527 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.81 99.64 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.454 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -28.34 67.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 1.47 111.353 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -89.21 -12.71 40.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.297 . . . . 3.69 111.393 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.52 34.11 32.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.782 -0.723 . . . . 1.23 111.721 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 164.16 29.35 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.175 -0.536 . . . . 1.27 112.017 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.82 144.47 24.53 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.642 2.228 . . . . 1.94 112.508 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 109.5 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.422 -0.585 . . . . 3.02 109.422 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.29 165.06 6.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.789 -0.641 . . . . 1.88 111.1 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.62 89.21 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.102 -0.499 . . . . 1.51 110.261 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.92 114.27 21.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.924 -0.58 . . . . 2.04 111.326 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -105.34 173.68 6.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 2.05 110.036 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.77 -36.39 77.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.838 0.351 . . . . 1.28 111.336 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -91.26 11.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.691 0.281 . . . . 2.28 111.566 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -80.12 133.0 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.988 0.423 . . . . 1.53 111.229 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 68.3 mtm180 -79.96 136.15 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 3.63 109.687 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 63.2 m-85 -60.78 -27.09 67.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.66 111.371 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -59.82 -45.44 92.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 2.06 110.951 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 31.3 m-20 -67.28 -36.53 81.76 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.91 0.386 . . . . 2.2 111.075 -175.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.27 -21.3 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 2.05 111.737 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.02 31.94 3.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.401 -0.904 . . . . 0.69 112.64 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.0 mm? -113.79 123.56 50.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.763 -0.458 . . . . 1.79 109.763 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.4 p -99.8 -172.56 2.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.859 -0.423 . . . . 2.07 109.859 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -60.82 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 1.87 110.485 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.9 -38.89 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 2.68 110.583 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' HB3' HD13 ' A' ' 43' ' ' LEU . 15.6 m-20 -63.96 -44.59 92.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.11 109.887 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.3 -40.38 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.835 -0.62 . . . . 2.07 110.843 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.26 83.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 1.29 110.276 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -66.45 -42.76 87.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.298 -0.41 . . . . 1.24 110.563 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -58.22 -51.73 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 1.18 111.278 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -36.46 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.39 . . . . 1.35 110.791 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -62.04 -39.66 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.434 . . . . 1.66 110.471 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' O ' HG21 ' A' ' 58' ' ' VAL . 95.9 m-20 -65.49 -41.15 93.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 1.65 110.519 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 1.79 110.397 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.08 -47.55 80.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.105 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -10.86 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 1.38 111.611 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 54' ' ' ASN . 88.9 t -80.48 -55.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.494 -0.321 . . . . 1.33 110.652 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -92.86 -26.81 17.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 1.39 111.978 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.836 -0.697 . . . . 1.23 111.482 -175.009 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.22 0.533 . . . . 2.04 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -85.57 -9.71 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 2.4 110.223 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm -83.49 89.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.654 -0.498 . . . . 1.26 109.654 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -88.11 -59.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.625 . . . . 1.5 110.772 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 p -110.68 170.11 8.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 1.33 111.015 -177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 1.35 109.67 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.34 62.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.276 -0.875 . . . . 1.18 111.728 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -60.04 -44.72 94.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 2.04 111.091 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.7 tp -76.56 -43.82 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 1.19 111.02 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.28 80.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 1.09 111.107 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -64.57 -38.37 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 4.78 110.323 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.97 51.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 1.29 110.975 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -74.08 -10.58 59.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.792 0.293 . . . . 1.31 111.792 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.49 31.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.187 0.517 . . . . 1.17 110.213 174.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 3.47 110.779 178.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.174 0.512 . . . . 2.92 109.934 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -68.09 -33.77 75.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 3.62 110.481 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 58.1 tp60 -61.94 -57.36 12.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 3.04 110.834 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.43 -31.03 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 2.07 110.623 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.432 ' HA ' HG12 ' A' ' 10' ' ' VAL . 12.7 tpt -73.41 -36.91 66.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 1.33 110.765 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.68 -35.17 74.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.471 . . . . 1.36 109.753 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 15.7 mm100 -66.25 -48.97 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.714 . . . . 3.26 111.165 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 7' ' ' MET . 10.3 p -68.16 -34.73 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 110.374 -0.232 . . . . 2.02 110.374 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HA ' HG23 ' A' ' 14' ' ' VAL . 93.5 t80 -60.54 -43.62 96.99 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.006 0.431 . . . . 0.77 110.015 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -38.69 76.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.701 . . . . 0.55 110.798 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.2 tp-100 -72.65 -50.8 22.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 1.98 110.87 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 11' ' ' PHE . 31.1 m -65.08 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.633 -0.258 . . . . 1.69 110.83 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.27 -46.07 83.45 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.111 0.481 . . . . 1.09 109.991 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 20.5 t-80 -61.82 -39.87 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 2.67 110.083 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 63.4 mm-40 -65.91 -47.16 75.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.77 110.307 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.6 mt -59.87 -44.85 95.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.142 -0.481 . . . . 1.19 110.516 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.07 80.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 1.19 111.122 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 56.3 mt-30 -68.14 -40.84 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 2.84 110.78 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.1 t -64.08 -50.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 1.28 110.604 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.53 -42.62 96.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.34 110.507 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.51 -44.28 96.86 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.597 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.52 75.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.743 0.275 . . . . 1.47 111.743 -177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -78.83 -19.02 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 3.69 111.001 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.04 48.25 3.39 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.745 -0.74 . . . . 1.23 111.962 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.08 160.23 14.23 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.676 -0.57 . . . . 1.27 111.676 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.8 138.07 33.74 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.544 2.163 . . . . 1.94 112.436 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.1 109.58 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.882 -0.599 . . . . 3.02 109.48 177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 m -103.2 171.99 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.034 -0.53 . . . . 1.88 111.348 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.11 92.77 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 1.51 110.87 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.32 130.98 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 2.04 110.985 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -118.78 177.77 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 2.05 110.399 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.1 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.891 0.377 . . . . 1.28 111.092 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -103.78 32.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 2.28 110.909 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.8 m -88.79 138.67 31.21 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.088 -0.382 . . . . 1.53 110.156 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -90.85 135.66 33.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.072 0.463 . . . . 3.63 109.785 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 88.7 m-85 -58.64 -42.35 88.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.66 111.463 -175.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 37.7 m -61.33 -33.31 73.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.899 0.38 . . . . 2.06 110.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.07 -27.43 57.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 2.2 110.485 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.78 -7.69 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 2.05 111.057 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.33 21.33 15.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.69 111.861 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' SER . 42.9 mt -107.36 125.97 51.88 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.072 -0.344 . . . . 1.79 110.072 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.7 p -97.65 -172.93 2.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.858 -0.423 . . . . 2.07 109.858 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -35.46 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.061 0.458 . . . . 1.87 109.863 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.31 -44.74 90.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.766 -0.652 . . . . 2.68 110.037 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.49 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.226 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.85 -43.34 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 2.07 110.777 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 1.29 110.632 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 m -71.34 -47.18 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.147 -0.479 . . . . 1.24 110.637 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.3 tp -58.35 -50.38 73.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 1.18 111.702 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.36 -43.11 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.549 -0.296 . . . . 1.35 110.812 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.2 m -68.24 -29.49 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.175 0.512 . . . . 1.66 110.776 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -71.49 -45.76 61.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 1.65 110.145 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -31.64 72.73 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 1.79 110.036 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -61.66 -32.15 72.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 1.81 110.714 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.96 -18.99 60.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.824 0.345 . . . . 1.38 110.712 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.52 -59.81 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 1.33 111.17 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -89.07 -50.13 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 1.39 111.477 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.845 -0.616 . . . . 1.23 113.239 177.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 112.024 0.379 . . . . 2.04 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.9 p -79.47 -25.83 41.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.078 0.466 . . . . 2.4 110.234 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.81 89.37 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.376 -0.601 . . . . 1.26 109.376 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.88 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.012 -0.54 . . . . 1.5 111.209 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -106.42 165.82 10.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.091 -0.504 . . . . 1.33 111.039 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 81.5 t -54.87 -39.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.053 0.454 . . . . 1.35 110.269 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 81' ' ' ARG . . . -54.95 -36.63 65.52 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.341 -0.845 . . . . 1.18 111.789 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -65.69 -45.32 83.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 2.04 111.261 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.37 -42.72 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.921 0.391 . . . . 1.19 110.664 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 -34.9 78.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 1.09 110.965 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 45.0 ttm180 -56.06 -42.45 76.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.82 -0.627 . . . . 4.78 111.265 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.55 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.29 111.059 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -77.55 -19.22 56.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.127 -0.488 . . . . 1.31 111.303 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.31 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.17 110.836 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 29.8 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 3.47 110.794 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.892 0.377 . . . . 2.92 110.209 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -68.21 -37.69 81.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 3.62 110.168 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -57.1 -50.59 72.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.846 0.355 . . . . 3.04 110.413 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.33 -43.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 2.07 110.879 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -42.31 78.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 1.33 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.07 -31.99 72.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.121 0.486 . . . . 1.36 110.071 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.15 -45.57 91.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.546 -0.752 . . . . 3.26 110.963 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.6 p -75.01 -42.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.641 -0.254 . . . . 2.02 110.625 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.25 -43.49 87.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.54 -0.3 . . . . 0.77 111.28 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.14 -42.67 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.55 111.168 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.1 tp60 -68.1 -40.72 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 1.98 110.183 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 10' ' ' VAL . 60.9 t -59.41 -51.81 68.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 1.69 110.48 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.22 -38.75 84.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.02 -0.536 . . . . 1.09 110.478 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -58.75 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 2.67 110.378 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.2 mm100 -69.9 -43.04 72.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 1.77 110.438 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 74.1 mt -58.8 -44.09 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.284 -0.416 . . . . 1.19 110.916 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.42 90.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.19 110.886 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.35 -41.18 96.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 2.84 110.153 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 17' ' ' GLN . 61.7 t -62.95 -48.19 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.28 110.624 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 95.0 mt -57.36 -45.64 84.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 2.34 110.964 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.92 78.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.109 -0.567 . . . . 0.94 112.748 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.85 -40.26 22.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.329 . . . . 1.47 110.767 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.76 -38.85 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 3.69 110.952 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 12.15 65.0 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.577 -0.738 . . . . 1.23 111.35 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.85 -179.28 52.9 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.28 -0.486 . . . . 1.27 112.515 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.04 141.3 63.45 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.942 2.428 . . . . 1.94 112.073 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.288 -0.634 . . . . 3.02 109.288 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.03 152.58 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.759 -0.655 . . . . 1.88 111.213 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.05 103.32 15.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 1.51 109.918 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -77.51 130.04 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 2.04 110.438 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.13 175.28 6.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.496 -0.557 . . . . 2.05 109.496 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.5 tp -79.99 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.459 -0.571 . . . . 1.28 109.459 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -98.53 -0.31 43.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 2.28 111.665 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.1 p -73.72 144.64 45.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 1.53 110.744 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -89.69 144.49 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 3.63 109.812 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.08 -38.64 88.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.772 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -66.94 -27.88 67.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 2.06 110.156 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.2 -37.67 66.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 2.2 109.698 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.06 -20.63 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.605 -0.725 . . . . 2.05 110.968 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 21.04 8.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.792 -0.718 . . . . 0.69 113.029 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.92 106.96 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 1.79 110.123 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -80.21 173.26 12.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.156 -0.475 . . . . 2.07 110.487 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -52.14 -47.17 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.506 0.558 . . . . 1.87 112.506 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.44 -43.49 98.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 2.68 111.042 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -77.98 -30.51 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.747 -0.381 . . . . 1.11 110.097 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.1 tt -62.89 -46.43 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.202 -0.666 . . . . 2.07 109.202 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.98 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.98 -0.555 . . . . 1.29 110.439 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.5 m -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.586 -0.734 . . . . 1.24 110.409 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.72 -48.65 80.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.651 . . . . 1.18 110.3 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 48' ' ' LEU . 59.5 mt -58.69 -46.05 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 1.35 110.68 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.3 t -61.8 -41.88 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.66 111.349 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -71.26 -41.03 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.488 -0.324 . . . . 1.65 111.087 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.73 -35.85 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.357 0.599 . . . . 1.79 110.133 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.83 -42.31 84.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.336 -0.847 . . . . 1.81 110.245 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.44 -12.71 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.834 -0.621 . . . . 1.38 111.484 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.3 t -76.35 -43.49 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.803 0.335 . . . . 1.33 110.133 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -90.83 -34.28 15.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 1.39 111.685 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 111.39 -0.684 . . . . 1.23 111.39 -176.603 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.145 0.424 . . . . 2.04 112.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -84.98 -8.84 58.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.39 . . . . 2.4 110.911 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mm -97.65 99.19 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 1.26 110.21 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.93 -52.22 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.303 0.573 . . . . 1.5 110.465 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -100.47 153.29 19.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.691 -0.686 . . . . 1.33 110.953 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.26 -33.31 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 1.35 110.778 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.3 69.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.814 -0.63 . . . . 1.18 111.737 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 8.6 t70 -72.34 -45.39 60.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 2.04 110.367 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.51 -47.46 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 1.19 110.699 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.43 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.959 -0.564 . . . . 1.09 110.236 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 31.7 ttp85 -57.51 -51.11 70.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.56 . . . . 4.78 110.94 175.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.65 78.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.614 -0.721 . . . . 1.29 111.447 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -79.19 -29.26 42.82 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.663 0.246 . . . . 1.31 111.663 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.79 75.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 1.17 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 20.1 pt20 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 3.47 111.105 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.988 0.423 . . . . 2.92 110.182 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -64.58 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 3.62 110.448 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.84 -51.45 64.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.707 -0.224 . . . . 3.04 111.298 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.09 -34.63 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.279 . . . . 2.07 110.689 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -74.78 -30.09 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.149 0.499 . . . . 1.33 110.297 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.2 -44.56 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.085 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -60.39 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 3.26 111.026 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG22 ' HH ' ' A' ' 59' ' ' TYR . 9.9 p -65.87 -36.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.577 -0.283 . . . . 2.02 110.773 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.633 -0.258 . . . . 0.77 110.82 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.08 -34.73 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.502 . . . . 0.55 110.486 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.17 -54.42 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.807 -0.633 . . . . 1.98 110.504 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 m -60.53 -32.77 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 1.69 110.702 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.56 -43.32 89.34 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.226 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 22.6 t60 -59.97 -50.27 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 2.67 110.142 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' VAL . 2.4 mp0 -57.96 -46.53 84.98 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.17 0.294 . . . . 1.77 111.015 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.64 -45.84 93.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.833 0.349 . . . . 1.19 110.821 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.26 -33.45 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 1.19 111.011 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.687 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 30.8 mm-40 -67.51 -45.04 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 2.84 110.418 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 17' ' ' GLN . 85.4 t -60.4 -53.01 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 1.28 111.116 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.76 -39.98 95.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 2.34 110.961 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.34 74.07 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.967 -0.635 . . . . 0.94 112.474 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.44 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 1.47 110.919 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -78.76 -24.29 44.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 3.69 110.489 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.89 21.4 33.62 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.629 -0.714 . . . . 1.23 111.665 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.41 173.98 23.49 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.795 -0.717 . . . . 1.27 112.143 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.12 154.37 41.91 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.665 2.244 . . . . 1.94 112.086 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.33 109.76 20.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.233 -0.44 . . . . 3.02 110.053 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.06 148.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.486 -0.561 . . . . 1.88 109.486 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 102.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 1.51 111.292 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.23 111.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 2.04 110.149 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.98 148.06 50.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 2.05 109.86 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -67.22 -25.31 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.28 111.577 -173.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -91.36 -10.22 41.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.269 0.557 . . . . 2.28 110.422 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -69.07 140.85 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.51 . . . . 1.53 110.544 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HG3' HG13 ' A' ' 74' ' ' VAL . 10.2 mpt_? -83.37 145.92 28.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.658 -0.701 . . . . 3.63 109.669 177.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -56.71 -52.27 65.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.976 0.362 . . . . 0.66 111.976 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 p -61.37 -40.53 94.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.856 0.36 . . . . 2.06 111.173 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.26 -31.04 71.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 2.2 110.466 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.65 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 2.05 111.191 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.12 -4.73 23.78 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.459 -0.876 . . . . 0.69 112.952 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -98.2 107.14 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.79 110.615 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 t -78.68 -176.22 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.485 -0.561 . . . . 2.07 109.485 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 m -57.85 -43.78 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.85 0.357 . . . . 1.87 110.974 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.81 -37.46 86.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.151 0.5 . . . . 2.68 110.748 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.83 -39.14 69.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 1.11 110.26 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 52' ' ' ILE . 3.7 tt -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.679 -0.692 . . . . 2.07 109.535 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.66 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 1.29 110.919 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -66.23 -35.72 81.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.107 0.48 . . . . 1.24 110.623 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.48 -38.66 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 1.18 110.175 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.9 mm -55.97 -52.76 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 1.35 110.583 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 m -60.71 -34.8 74.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.216 -0.447 . . . . 1.66 111.454 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -72.92 -44.86 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.65 111.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.76 -31.34 68.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 1.79 110.351 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.14 -35.9 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.511 -0.768 . . . . 1.81 110.517 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.0 -17.97 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 1.38 111.559 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.5 t -83.48 -45.94 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.043 0.449 . . . . 1.33 110.87 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.501 ' HH ' HG22 ' A' ' 10' ' ' VAL . 58.5 m-85 -89.18 -36.45 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.271 -0.422 . . . . 1.39 111.556 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.069 -0.813 . . . . 1.23 111.069 -175.015 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.89 0.376 . . . . 2.04 111.362 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -90.74 -2.88 57.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 2.4 110.913 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mm -79.73 89.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.706 -0.85 . . . . 1.26 108.706 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 37' ' ' ARG . 48.1 t -103.09 -57.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.502 -0.772 . . . . 1.5 111.012 -173.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 76.6 p -102.02 162.38 12.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.411 . . . . 1.33 110.63 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.78 -37.85 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 1.35 110.127 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.12 66.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.46 -0.791 . . . . 1.18 112.105 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -63.97 -43.85 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 2.04 110.981 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.2 tp -80.18 -44.2 20.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.495 . . . . 1.19 110.718 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.02 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 1.09 111.162 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -60.11 -36.51 77.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 4.78 111.037 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.19 83.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 1.29 110.624 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -78.42 -20.19 51.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.31 111.263 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.73 -22.11 64.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.239 0.543 . . . . 1.17 110.029 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.65 -0.704 . . . . 3.47 110.85 178.284 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 2.92 109.987 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -66.55 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 3.62 110.582 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.44 -49.75 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 3.04 110.434 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.21 -40.51 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.507 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.5 tpp -62.75 -46.07 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.33 111.036 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.17 -36.02 82.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.169 0.509 . . . . 1.36 110.165 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -66.11 -52.39 49.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.4 -0.818 . . . . 3.26 111.065 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 p -65.0 -38.12 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.29 . . . . 2.02 110.459 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.24 -40.71 86.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.184 -0.462 . . . . 0.77 110.897 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.55 110.559 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 5.8 tp-100 -68.09 -43.09 79.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 1.98 110.457 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 10' ' ' VAL . 98.5 t -58.26 -46.83 88.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.435 -0.348 . . . . 1.69 110.764 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -57.48 -45.31 85.0 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.96 0.41 . . . . 1.09 109.994 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.48 -37.42 83.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.704 . . . . 2.67 110.679 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 31.2 mm-40 -70.43 -39.85 74.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.583 -0.28 . . . . 1.77 110.536 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 72.4 mt -65.71 -45.15 92.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 1.19 110.302 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.46 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 1.19 110.639 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.45 -49.79 74.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.84 110.295 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' GLN . 92.0 t -59.41 -47.68 89.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.253 -0.43 . . . . 1.28 110.94 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.5 -42.8 98.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 2.34 110.667 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -35.85 86.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.95 -0.643 . . . . 0.94 112.208 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.2 65.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.651 0.262 . . . . 1.47 111.417 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -91.85 -15.23 28.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.0 0.429 . . . . 3.69 110.661 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.83 30.27 18.42 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.861 -0.608 . . . . 1.23 112.586 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.17 157.63 14.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.774 -0.727 . . . . 1.27 112.12 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.34 143.12 75.54 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 1.94 111.865 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.73 138.73 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.132 0.491 . . . . 3.02 110.715 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.94 167.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 1.88 110.577 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.85 98.87 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.13 -0.487 . . . . 1.51 110.364 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.98 118.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.113 -0.494 . . . . 2.04 110.216 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.77 172.75 6.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.559 -0.534 . . . . 2.05 109.559 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 tp -83.08 -31.21 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 1.28 110.331 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.0 6.25 43.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.341 -0.39 . . . . 2.28 111.683 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -84.35 148.85 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.754 0.312 . . . . 1.53 110.844 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 69.8 mtt180 -85.27 141.79 29.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.206 -0.665 . . . . 3.63 109.206 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 70.1 m-85 -61.61 -30.18 70.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.913 -0.403 . . . . 0.66 109.913 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -61.28 -51.53 68.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.712 . . . . 2.06 111.33 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.81 -20.23 53.59 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.887 -0.325 . . . . 2.2 110.974 -175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 91.2 mt -71.46 -20.35 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 2.05 110.152 173.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 4.09 28.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.92 -0.657 . . . . 0.69 113.299 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.49 112.59 20.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.89 0.345 . . . . 1.79 110.124 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -83.81 -173.1 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.367 -0.379 . . . . 2.07 110.602 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.3 m -55.65 -50.66 69.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.767 0.318 . . . . 1.87 111.785 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.7 tp -66.56 -43.28 85.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 2.68 110.55 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.95 -44.42 97.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 1.11 110.752 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 52' ' ' ILE . 8.2 tt -61.71 -45.13 95.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 2.07 109.819 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.94 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.29 110.735 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -59.91 -42.32 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 1.24 109.923 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.5 -44.32 97.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.566 -0.743 . . . . 1.18 110.7 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 48' ' ' LEU . 44.9 mm -57.31 -46.19 85.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.067 0.46 . . . . 1.35 110.221 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -63.11 -37.73 88.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.343 -0.844 . . . . 1.66 110.834 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 97.3 m-20 -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.539 -0.3 . . . . 1.65 110.896 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.46 -29.5 70.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.74 0.305 . . . . 1.79 110.818 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.15 -38.85 86.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 1.81 110.048 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.59 71.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.431 . . . . 1.38 110.675 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 13' ' ' GLN . 88.1 t -76.43 -64.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 1.33 111.414 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -103.42 -50.8 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 1.39 111.617 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.866 -0.683 . . . . 1.23 112.37 -179.724 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 112.162 0.431 . . . . 2.04 112.162 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 p -77.23 -18.97 57.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.325 0.583 . . . . 2.4 109.929 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.38 89.59 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.842 -0.617 . . . . 1.26 109.972 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.78 -53.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.996 -0.547 . . . . 1.5 110.325 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -105.08 167.62 9.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 1.33 110.885 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 86.3 t -59.58 -39.82 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.753 0.311 . . . . 1.35 110.547 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.615 . . . . 1.18 111.774 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.13 -43.46 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 2.04 110.762 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 tp -73.21 -39.94 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 1.19 110.293 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.54 93.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 1.09 111.049 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 48.1 mtm105 -56.16 -39.07 71.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.569 -0.287 . . . . 4.78 111.406 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.11 -60.02 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.29 111.233 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.3 -9.36 59.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.384 . . . . 1.31 111.824 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' HB3' HG13 ' A' ' 10' ' ' VAL . . . -77.69 -51.19 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.828 -0.434 . . . . 1.17 109.828 172.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 3.47 110.771 -178.094 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.251 0.548 . . . . 2.92 109.576 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -65.43 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.675 -0.693 . . . . 3.62 109.69 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.575 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 47.2 tt0 -66.6 -45.28 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 3.04 110.541 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.09 -48.05 85.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.232 0.539 . . . . 2.07 110.34 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.59 -31.49 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 1.33 110.365 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.87 -39.29 93.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.36 110.335 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 18.2 mm100 -63.24 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 3.26 111.248 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.6 -33.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.86 -0.336 . . . . 2.02 110.576 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.19 -39.54 93.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.98 0.419 . . . . 0.77 110.254 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.9 -38.02 89.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.55 110.495 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.47 -44.02 58.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 1.98 111.153 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -38.93 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.499 -0.48 . . . . 1.69 110.106 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.41 -48.04 83.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.177 0.513 . . . . 1.09 109.922 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.3 t-80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.132 -0.94 . . . . 2.67 111.016 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.31 -40.61 90.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 1.77 111.028 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.58 -47.43 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.74 0.305 . . . . 1.19 110.319 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.74 76.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.19 111.002 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.0 mm-40 -63.2 -47.84 80.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 2.84 110.601 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.54 -46.34 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.28 110.898 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.41 -38.14 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.39 -0.368 . . . . 2.34 111.043 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.44 -44.56 95.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.004 -0.617 . . . . 0.94 112.106 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.77 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 1.47 110.853 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.1 -29.64 49.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 3.69 110.328 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.55 11.55 68.49 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.629 -0.714 . . . . 1.23 111.427 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.97 162.66 32.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.14 -0.552 . . . . 1.27 112.012 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.98 123.51 13.37 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.891 2.394 . . . . 1.94 112.751 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.58 110.2 6.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.966 -0.561 . . . . 3.02 109.854 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.85 154.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 1.88 110.807 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 122.21 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 1.51 110.285 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.17 132.26 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 2.04 111.119 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -109.74 139.06 45.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.484 -0.78 . . . . 2.05 109.877 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 tp -74.99 -25.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.768 -0.651 . . . . 1.28 111.035 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.82 -32.04 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 2.28 111.178 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -65.41 160.74 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.579 0.705 . . . . 1.53 111.58 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 54.1 mtm180 -88.52 161.23 17.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.251 -0.886 . . . . 3.63 109.246 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 74.9 m-85 -60.19 -35.76 76.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.968 0.413 . . . . 0.66 110.715 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -62.28 -25.27 67.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 2.06 111.532 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -73.53 -29.64 62.58 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.561 0.219 . . . . 2.2 111.157 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.62 -10.64 53.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 2.05 110.499 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.45 3.94 23.76 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.623 -0.799 . . . . 0.69 113.224 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.41 124.1 29.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.898 0.349 . . . . 1.79 110.336 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -85.84 177.45 7.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.797 -0.446 . . . . 2.07 109.797 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -57.76 -39.69 78.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 1.87 110.683 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.63 -44.15 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 2.68 110.756 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.29 -42.72 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.904 -0.406 . . . . 1.11 109.904 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -57.65 -47.48 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.366 -0.834 . . . . 2.07 110.467 -178.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.39 -51.08 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.21 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -68.11 -33.47 74.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 1.24 110.765 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.0 -44.71 91.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 1.18 110.318 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.7 mt -63.03 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 1.35 110.499 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.8 m -58.3 -35.62 72.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.66 111.061 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.47 -45.17 76.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 1.65 110.77 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.15 -35.97 78.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.05 -0.523 . . . . 1.79 110.483 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.33 -42.49 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 1.81 110.537 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.4 -22.97 65.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 1.38 111.41 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.09 -62.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 1.33 110.942 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -86.2 -34.31 20.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 1.39 111.67 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 CA-C-N 115.965 -0.561 . . . . 1.23 112.888 179.404 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.938 0.399 . . . . 2.04 111.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.3 m -71.9 -30.5 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 2.4 111.108 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -85.07 89.53 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.168 0.509 . . . . 1.26 110.643 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 -50.47 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.952 -0.567 . . . . 1.5 110.274 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 14.9 p -89.07 152.31 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 1.33 110.972 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 80.9 t -61.24 -35.97 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 1.35 110.163 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.401 -0.818 . . . . 1.18 112.127 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.7 -50.6 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 2.04 110.907 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.85 -39.37 87.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.143 -0.48 . . . . 1.19 110.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.52 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 1.09 110.787 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -67.37 -29.77 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 4.78 111.032 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.98 81.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.041 0.448 . . . . 1.29 111.217 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -82.09 -20.68 37.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 1.31 111.404 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.37 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.483 . . . . 1.17 110.244 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.633 . . . . 3.47 110.164 177.343 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 121.141 0.496 . . . . 2.92 110.417 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -71.4 -40.93 70.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 3.62 110.325 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 96.8 mt-30 -59.78 -48.03 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 3.04 111.349 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 10' ' ' VAL . 14.6 p -68.55 -37.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.712 -0.222 . . . . 2.07 111.174 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 tpt -66.45 -37.76 85.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 1.33 109.809 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.58 -38.96 89.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 1.36 110.361 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 25.7 mt-30 -63.47 -41.46 98.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 3.26 110.898 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 6' ' ' VAL . 48.8 t -65.56 -41.87 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 2.02 110.212 177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.66 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.77 110.476 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.04 -42.12 76.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.55 110.8 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.5 tp-100 -61.36 -56.66 17.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.791 -0.641 . . . . 1.98 110.762 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.6 m -64.39 -35.84 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 1.69 111.264 -177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.86 -49.96 69.85 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.15 0.5 . . . . 1.09 110.643 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 69.4 t60 -62.77 -40.72 98.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.411 -0.813 . . . . 2.67 110.674 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -66.12 -41.3 90.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.321 . . . . 1.77 110.431 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' VAL . 92.3 mt -60.81 -44.2 97.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.861 0.362 . . . . 1.19 110.433 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.64 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.585 . . . . 1.19 111.176 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -70.29 -38.57 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 2.84 110.574 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.3 t -67.83 -48.1 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 1.28 110.53 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.83 -42.99 85.48 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.418 -0.355 . . . . 2.34 110.637 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.48 92.4 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.94 112.209 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.74 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.47 111.237 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -71.81 -32.03 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 3.69 110.972 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 15.49 71.02 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.346 -0.702 . . . . 1.23 111.346 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.58 179.29 49.06 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.13 -0.557 . . . . 1.27 112.578 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.14 119.82 7.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.998 2.466 . . . . 1.94 112.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.81 109.1 8.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 3.02 109.935 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.29 148.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.937 -0.574 . . . . 1.88 110.472 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 129.72 34.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 1.51 110.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.51 138.23 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 2.04 111.35 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.67 178.76 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.266 -0.642 . . . . 2.05 109.266 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -74.39 -33.93 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.394 -0.523 . . . . 1.28 111.148 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.38 -0.96 57.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.227 0.537 . . . . 2.28 111.028 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -62.67 135.05 57.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.486 . . . . 1.53 111.456 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -92.28 133.89 35.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.875 -0.787 . . . . 3.63 108.875 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -62.11 -28.01 69.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.66 112.557 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -63.84 -44.98 91.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.775 0.321 . . . . 2.06 110.431 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.76 -31.17 64.71 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.206 0.527 . . . . 2.2 110.158 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 tp -70.26 -19.08 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.533 -0.758 . . . . 2.05 110.801 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.84 18.48 27.29 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.79 -0.719 . . . . 0.69 112.686 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.26 110.23 22.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.022 -0.362 . . . . 1.79 110.022 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -76.07 174.48 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.201 -0.454 . . . . 2.07 109.935 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -59.96 -36.87 78.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 1.87 110.33 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 46' ' ' LEU . 6.3 mp -67.91 -38.07 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.68 110.148 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.41 -37.58 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 1.11 109.988 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 52' ' ' ILE . 50.6 mt -60.8 -44.38 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 2.07 110.706 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.21 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 1.29 110.591 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.9 m -66.49 -44.05 83.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.24 111.081 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.82 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.424 . . . . 1.18 111.014 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 48' ' ' LEU . 70.3 mt -65.3 -33.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.029 -0.532 . . . . 1.35 110.721 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -63.2 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 1.66 110.318 175.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.39 -21.37 62.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 1.65 110.923 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.18 -28.14 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.409 0.623 . . . . 1.79 109.797 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.89 -43.63 86.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.191 -0.913 . . . . 1.81 110.327 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.47 -8.76 43.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.38 111.948 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -87.82 -49.14 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 1.33 110.738 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -95.14 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.064 0.394 . . . . 1.39 112.064 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 111.357 -0.697 . . . . 1.23 111.357 -173.071 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.037 0.446 . . . . 2.04 111.255 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -76.4 -14.66 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 2.4 110.039 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.72 89.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.82 -0.627 . . . . 1.26 109.574 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.96 -58.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 1.5 110.449 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -102.17 162.48 12.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 1.33 110.572 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.01 -35.56 66.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.18 0.514 . . . . 1.35 109.868 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.34 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.451 -0.795 . . . . 1.18 111.426 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.6 -48.24 70.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.898 0.38 . . . . 2.04 110.55 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.68 -45.95 91.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.612 -0.722 . . . . 1.19 110.205 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.17 -53.91 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.579 -0.737 . . . . 1.09 111.236 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -59.35 -42.19 90.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.315 . . . . 4.78 111.546 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.78 94.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 1.29 111.728 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -90.73 -9.98 44.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.839 0.311 . . . . 1.31 111.839 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.47 28.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.265 0.555 . . . . 1.17 109.931 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 3.47 110.048 176.59 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.448 -0.661 . . . . 5.69 111.448 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -79.0 150.99 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 5.26 111.356 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -120.71 162.67 33.47 Favored Pre-proline 0 N--CA 1.447 -0.622 0 CA-C-N 115.712 -0.676 . . . . 3.49 109.505 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.9 -41.19 48.18 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 121.987 1.791 . . . . 3.09 111.799 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -66.21 -41.68 89.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.586 -0.734 . . . . 5.53 111.702 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.3 p -83.19 -18.1 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 3.1 111.199 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.44 -31.95 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 2.93 110.199 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.26 -32.15 72.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 2.92 110.404 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -77.65 -38.22 48.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 3.62 110.062 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.86 -47.35 86.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 3.04 111.269 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.49 -34.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.558 -0.292 . . . . 2.07 110.808 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.34 -42.73 83.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.412 0.625 . . . . 1.33 109.729 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.65 -34.7 78.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.645 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.54 -50.71 71.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 3.26 110.963 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 14' ' ' VAL . 19.0 m -69.98 -31.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.659 -0.246 . . . . 2.02 110.783 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.59 -49.88 76.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.441 -0.345 . . . . 0.77 110.775 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -39.94 77.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.117 -0.492 . . . . 0.55 110.935 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 49.7 tp60 -64.09 -50.34 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.982 -0.554 . . . . 1.98 110.204 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 10' ' ' VAL . 95.1 t -59.53 -44.31 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.109 -0.496 . . . . 1.69 111.035 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.69 -45.68 73.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.874 0.369 . . . . 1.09 110.865 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -65.4 -35.59 81.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 2.67 110.76 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 83.8 mm-40 -72.97 -36.57 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.387 -0.37 . . . . 1.77 110.546 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.93 -45.68 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 1.19 110.315 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.19 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 1.19 110.632 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.41 -48.58 79.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 2.84 110.856 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' GLN . 93.6 t -59.83 -57.61 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 1.28 111.154 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.11 -37.89 86.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 2.34 110.743 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -39.9 97.74 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.124 -0.56 . . . . 0.94 112.467 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.65 75.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 1.47 111.085 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 48.9 mtpt -74.55 -19.8 60.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 3.69 111.102 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.94 18.87 32.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 1.23 112.656 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.83 149.61 18.54 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.778 -0.725 . . . . 1.27 112.064 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.85 137.41 78.64 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.106 2.537 . . . . 1.94 112.224 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.89 115.92 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 3.02 111.144 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.15 149.29 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.698 -0.683 . . . . 1.88 109.908 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.54 122.46 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.882 0.372 . . . . 1.51 110.63 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.25 104.09 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 2.04 111.155 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 44.2 mm-40 -95.31 143.61 26.55 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 2.05 109.291 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.73 -28.4 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.574 . . . . 1.28 111.974 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -98.34 8.96 44.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.815 0.34 . . . . 2.28 110.765 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 42.5 t -84.77 150.17 25.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 1.53 110.955 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -84.6 141.25 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 3.63 109.376 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.493 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 48.1 m-85 -60.19 -37.89 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.782 0.325 . . . . 0.66 110.781 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 30.7 t -66.52 -26.9 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 2.06 110.59 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.12 -33.42 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 2.2 110.088 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.78 -15.56 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 2.05 111.143 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -0.13 19.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.442 -0.885 . . . . 0.69 112.896 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.2 mm? -83.02 124.13 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.848 -0.427 . . . . 1.79 109.848 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -89.33 -176.78 5.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.684 -0.488 . . . . 2.07 109.684 175.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -55.94 -47.89 76.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 1.87 111.25 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.99 -37.63 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 2.68 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -68.49 -37.25 79.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.438 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.14 -46.53 90.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 2.07 109.767 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.85 95.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 1.29 110.612 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.0 m -62.67 -45.14 94.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.632 -0.713 . . . . 1.24 110.565 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.09 -43.64 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 1.18 110.9 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.65 -47.56 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 1.35 110.503 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -62.65 -36.12 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.97 -0.559 . . . . 1.66 111.158 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -65.67 -31.7 72.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 1.65 110.849 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 tp -81.69 -39.11 24.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.31 -0.404 . . . . 1.79 110.241 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.82 -45.1 78.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.972 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.92 -13.27 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 1.38 111.887 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 54' ' ' ASN . 90.2 t -82.9 -57.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.405 . . . . 1.33 110.7 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' HH ' HG13 ' A' ' 10' ' ' VAL . 36.1 m-85 -85.53 -28.01 25.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.39 111.744 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.52 8.67 82.79 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.807 -0.711 . . . . 1.23 111.357 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -121.15 158.32 28.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.45 -0.375 . . . . 2.22 110.161 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.78 96.9 0.69 Allowed Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.979 -0.378 . . . . 4.01 109.979 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.447 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 7.6 Cg_exo -72.78 120.66 6.8 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.762 2.308 . . . . 4.49 112.672 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.459 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 31.0 m-85 -100.93 4.2 42.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.248 -0.433 . . . . 4.63 110.459 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.47 -68.7 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.146 -0.479 . . . . 5.26 110.879 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.84 -32.85 21.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.469 . . . . 5.89 110.633 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 63' ' ' PRO . . . -86.76 28.34 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.119 0.485 . . . . 3.11 110.859 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 10.5 p -68.8 -25.66 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 3.8 110.503 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -104.46 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 2.22 110.199 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.87 -23.68 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.152 0.501 . . . . 1.94 110.668 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -73.72 -13.6 61.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 2.04 111.412 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -85.5 -6.06 59.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.035 0.445 . . . . 2.4 110.478 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.65 89.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 1.26 109.32 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.69 -57.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.031 -0.531 . . . . 1.5 111.003 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.5 p -97.49 164.71 12.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 1.33 110.815 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 65.3 t -56.27 -42.19 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 1.35 110.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.17 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.553 -0.749 . . . . 1.18 111.93 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.26 -45.05 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 2.04 111.171 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.41 -42.7 61.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.912 0.387 . . . . 1.19 110.235 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.824 -0.625 . . . . 1.09 110.818 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 81' ' ' ARG . 43.9 ttp180 -54.56 -43.37 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 4.78 111.409 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 1.29 111.547 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -87.0 -13.83 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.517 -0.311 . . . . 1.31 111.387 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.94 -27.95 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.06 0.457 . . . . 1.17 110.488 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -87.18 30.84 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 3.47 110.979 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.79 138.4 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.501 . . . . 4.22 110.314 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.58 -10.55 23.72 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.581 -0.819 . . . . 2.96 112.775 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.9 m -112.96 127.56 26.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.806 0.336 . . . . 4.03 111.056 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 88' ' ' VAL . 23.5 Cg_exo -64.3 114.62 2.75 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.675 2.25 . . . . 5.49 112.037 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 -95.4 2.33 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.637 -0.585 . . . . 6.5 111.637 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.44 164.39 35.76 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.753 2.302 . . . . 8.95 111.547 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 t -79.93 119.7 77.52 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.797 -0.446 . . . . 9.92 109.797 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -59.12 -30.97 94.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.809 2.339 . . . . 11.69 112.177 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.508 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 26.6 t70 -119.49 121.37 30.08 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.386 . . . . 12.71 110.083 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.54 -15.13 17.63 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.751 2.301 . . . . 14.26 113.001 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.07 -43.17 22.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.658 -0.246 . . . . 16.8 110.65 -176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.508 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 0.7 OUTLIER -73.41 -28.31 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.573 -0.528 . . . . 13.85 109.573 177.078 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.51 75.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.308 0.575 . . . . 14.0 109.843 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.8 -36.17 77.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 17.29 110.302 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.49 -30.98 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 17.43 110.674 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.06 -33.63 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 16.96 110.502 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.82 -41.45 17.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.215 0.531 . . . . 18.98 110.589 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 tp -80.13 88.01 5.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.642 -0.708 . . . . 19.61 110.59 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -96.07 10.2 38.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 20.5 110.449 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -119.22 171.19 8.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.982 -0.554 . . . . 23.01 110.042 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 22.66 109.794 179.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.055 -0.418 . . . . 5.69 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 61.2 mt 66.89 92.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.389 0.614 . . . . 5.26 111.131 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.46 123.87 62.64 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.564 -0.744 . . . . 3.49 110.173 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.66 -28.44 81.59 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.737 2.291 . . . . 3.09 111.834 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -64.84 -33.95 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.01 -0.541 . . . . 5.53 110.88 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.1 m -59.91 -48.95 79.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.025 -0.361 . . . . 3.1 110.025 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.52 -40.6 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 2.93 110.269 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.35 -50.3 74.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 2.92 110.488 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.68 -42.15 96.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 3.62 110.635 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.95 -53.4 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 3.04 111.537 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.35 -31.04 49.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.65 0.262 . . . . 2.07 111.164 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.1 tpt -77.29 -37.42 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 1.33 110.735 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -72.5 -29.96 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.829 -0.434 . . . . 1.36 109.829 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.07 -51.03 68.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 3.26 110.571 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG11 ' A' ' 14' ' ' VAL . 8.2 p -67.34 -31.57 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 110.157 -0.312 . . . . 2.02 110.157 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HA ' HG23 ' A' ' 14' ' ' VAL . 71.9 t80 -65.56 -45.02 84.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.77 110.615 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.98 -38.77 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 0.55 110.327 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.0 tp-100 -67.1 -49.6 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.601 -0.727 . . . . 1.98 111.025 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.0 m -65.51 -36.14 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.827 -0.349 . . . . 1.69 110.426 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.01 -44.59 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.252 0.548 . . . . 1.09 109.826 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 14.6 t60 -65.54 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.622 -0.717 . . . . 2.67 110.193 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 32.7 mm-40 -66.98 -49.93 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 1.77 110.31 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 82.8 mt -56.9 -44.62 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.112 -0.495 . . . . 1.19 110.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.64 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 1.19 111.77 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 47.0 mt-30 -74.36 -33.63 63.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.949 0.404 . . . . 2.84 110.722 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.99 -38.52 72.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.45 . . . . 1.28 110.24 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 85.5 mt -60.35 -39.3 86.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 2.34 110.144 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.08 93.14 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.699 -0.682 . . . . 0.94 111.934 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.42 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 1.47 110.688 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 9.0 mtpm? -73.16 -19.03 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 3.69 110.342 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.52 28.4 32.88 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.583 -0.735 . . . . 1.23 112.484 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.03 179.84 16.24 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.638 -0.791 . . . . 1.27 112.795 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.53 168.14 25.5 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.457 2.771 . . . . 1.94 112.366 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.06 108.96 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 3.02 110.218 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.4 164.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.878 -0.601 . . . . 1.88 111.355 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.33 97.9 11.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.566 . . . . 1.51 110.44 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.95 130.99 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.895 -0.593 . . . . 2.04 110.721 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.65 168.12 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.853 -0.612 . . . . 2.05 109.47 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.1 -11.66 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.176 -0.466 . . . . 1.28 112.043 -173.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -112.39 7.13 19.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.067 -0.396 . . . . 2.28 111.379 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -74.03 128.58 35.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 1.53 111.058 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -81.66 138.88 35.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.037 -0.727 . . . . 3.63 109.037 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -62.27 -23.37 66.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.66 111.018 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -63.7 -52.33 61.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.911 -0.586 . . . . 2.06 110.444 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -80.73 -10.27 59.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 2.2 110.995 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.82 -20.12 33.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 2.05 110.675 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.57 18.87 22.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.603 -0.808 . . . . 0.69 112.981 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.94 104.7 16.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.954 -0.387 . . . . 1.79 109.954 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.87 178.98 6.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.891 -0.595 . . . . 2.07 110.982 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -53.49 -64.72 0.73 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.072 0.768 . . . . 1.87 113.072 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.8 -37.29 86.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 2.68 111.094 -175.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -65.93 -45.67 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.882 -0.599 . . . . 1.11 110.451 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.572 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 tp -65.11 -41.72 94.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 2.07 110.416 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.096 0.474 . . . . 1.29 110.79 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.2 m -69.61 -38.42 77.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 1.24 110.284 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 1.18 110.378 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.1 mm -54.94 -53.01 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.872 -0.604 . . . . 1.35 110.667 177.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -62.6 -34.8 77.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 1.66 111.384 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' O ' HG21 ' A' ' 58' ' ' VAL . 4.6 m-80 -61.28 -52.52 64.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 1.65 110.982 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.65 -37.35 79.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.411 . . . . 1.79 110.596 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 7.7 tm-20 -58.75 -44.68 90.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 1.81 110.063 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.12 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.38 111.157 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 54' ' ' ASN . 79.5 t -66.18 -46.1 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 1.33 111.031 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.91 -47.74 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.823 0.345 . . . . 1.39 111.869 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.79 -4.9 82.16 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.718 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -99.58 179.05 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.294 . . . . 2.22 111.341 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 55.17 93.1 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.583 0 O-C-N 123.972 0.795 . . . . 4.01 111.899 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.7 118.33 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.177 1.918 . . . . 4.49 112.0 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -79.59 10.76 3.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 4.63 111.529 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 5.26 109.883 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -79.72 -40.41 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 5.89 110.444 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.76 30.3 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.792 -0.64 . . . . 3.11 110.914 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.39 -26.77 31.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.927 -0.579 . . . . 3.8 111.652 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.34 107.6 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.616 -0.513 . . . . 2.22 109.616 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.22 -20.08 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.94 110.974 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.5 p -67.21 -6.66 19.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 2.04 111.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 m -80.33 -26.07 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 2.4 110.052 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.92 89.46 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.99 -0.55 . . . . 1.26 109.595 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.15 -49.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.842 -0.617 . . . . 1.5 110.656 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.3 p -109.35 162.79 14.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.91 -0.587 . . . . 1.33 110.497 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.33 -33.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.934 0.397 . . . . 1.35 110.572 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.82 77.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.694 . . . . 1.18 111.283 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -59.97 -47.34 86.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.222 0.534 . . . . 2.04 110.16 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.64 -38.84 70.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.353 -0.839 . . . . 1.19 110.631 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.68 69.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 1.09 111.842 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.7 mtm-85 -63.53 -30.13 71.3 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.475 0.176 . . . . 4.78 111.475 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -40.48 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 1.29 110.571 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.428 ' OH ' ' HA ' ' A' ' 56' ' ' GLU . 72.3 m-85 -90.19 -15.21 31.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 1.31 111.642 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.81 -29.74 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.17 110.261 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -86.13 -5.34 59.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.709 -0.678 . . . . 3.47 110.858 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -90.36 115.84 27.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.817 0.341 . . . . 4.22 110.419 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.41 25.47 61.13 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.02 -0.609 . . . . 2.96 112.018 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.01 129.02 79.81 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.321 0.581 . . . . 4.03 111.244 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.49 111.69 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.239 2.626 . . . . 5.49 112.233 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.9 -78.58 0.34 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.39 -0.909 . . . . 6.5 112.756 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.94 133.08 44.93 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.146 2.564 . . . . 8.95 112.9 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.0 m -95.39 127.29 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 9.92 110.126 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 11.5 Cg_exo -70.16 -35.26 11.79 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.598 2.199 . . . . 11.69 112.092 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -107.6 139.66 20.79 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 12.71 110.183 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.54 -12.33 22.52 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.815 2.343 . . . . 14.26 113.044 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.47 -31.21 63.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.929 0.395 . . . . 16.8 110.267 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.78 -36.63 77.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 13.85 110.694 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.06 -0.36 57.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.564 . . . . 14.0 111.058 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.0 -18.43 39.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 17.29 109.736 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 89.8 mt -72.03 109.52 5.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.73 . . . . 17.43 110.298 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.74 -32.16 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.335 -0.393 . . . . 16.96 110.657 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.8 -43.96 28.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 18.98 109.625 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 88.3 mt -85.45 77.39 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.606 -0.725 . . . . 19.61 109.188 173.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -118.33 -6.38 10.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 20.5 111.39 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -90.17 55.47 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.449 0.642 . . . . 23.01 110.079 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.544 -0.741 . . . . 22.66 110.269 -178.812 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.674 -0.57 . . . . 5.69 111.674 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.45 129.62 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.157 -0.312 . . . . 5.26 110.157 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.565 ' HB3' ' OG1' ' A' ' 1' ' ' THR . 18.0 t70 -120.37 133.09 23.96 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.286 -0.415 . . . . 3.49 110.232 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' -2' ' ' ASP . 16.9 Cg_exo -67.93 -18.88 46.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.911 2.407 . . . . 3.09 113.52 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -97.46 -33.98 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.522 0.201 . . . . 5.53 111.171 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.565 ' OG1' ' HB3' ' A' ' -2' ' ' ASP . 40.9 p -65.71 -17.5 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.886 0.374 . . . . 3.1 110.732 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 2.93 110.596 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.9 -34.04 74.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 2.92 110.022 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -71.65 -40.94 69.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 3.62 109.597 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.08 -52.93 62.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.134 -0.939 . . . . 3.04 111.111 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.85 -26.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.78 0.324 . . . . 2.07 110.933 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -75.75 -40.63 55.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.33 111.505 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.94 -23.75 52.42 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.832 -0.747 . . . . 1.36 109.95 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.59 -45.85 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 3.26 110.931 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.18 -37.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.948 -0.301 . . . . 2.02 110.527 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.44 ' HA ' HG21 ' A' ' 14' ' ' VAL . 63.9 t80 -62.19 -44.93 95.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.845 0.355 . . . . 0.77 110.174 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.99 -40.68 81.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.822 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.67 -47.13 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 1.98 110.927 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' A' ' 11' ' ' PHE . 34.5 m -67.48 -33.73 64.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 120.685 -0.406 . . . . 1.69 110.669 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.82 -49.13 76.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.306 0.574 . . . . 1.09 110.224 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -67.55 -39.31 84.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.585 -0.734 . . . . 2.67 110.849 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.37 -48.63 64.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.77 111.288 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.4 mt -56.18 -42.89 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 1.19 110.746 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.12 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 1.19 111.432 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -79.48 -33.94 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 2.84 111.302 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.25 -46.4 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 1.28 110.315 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.09 -39.85 93.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 2.34 110.514 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.16 97.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.074 -0.584 . . . . 0.94 112.169 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.0 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 1.47 111.088 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -82.79 -31.58 28.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.159 0.504 . . . . 3.69 110.421 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.32 15.49 17.43 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.816 -0.707 . . . . 1.23 111.942 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.87 145.26 20.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.706 -0.759 . . . . 1.27 111.785 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.41 144.74 62.72 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.557 2.172 . . . . 1.94 111.868 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.42 112.63 18.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.3 -0.409 . . . . 3.02 110.602 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -111.06 178.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.919 -0.582 . . . . 1.88 110.77 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.25 102.24 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 1.51 111.224 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.82 126.08 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.117 0.484 . . . . 2.04 110.405 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.4 172.78 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 2.05 110.332 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -73.41 -35.12 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.938 0.399 . . . . 1.28 110.912 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -95.09 16.83 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.447 . . . . 2.28 110.52 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 t -85.75 146.88 26.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 1.53 110.242 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.77 130.76 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.184 -0.462 . . . . 3.63 110.102 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 89.1 m-85 -59.08 -31.56 69.01 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.463 -0.79 . . . . 0.66 111.837 -175.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -61.05 -34.18 74.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 2.06 110.892 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.08 -34.02 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.095 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -77.09 -5.59 49.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 2.05 110.864 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 28.88 13.17 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.683 -0.77 . . . . 0.69 111.86 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -107.89 119.49 39.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.718 -0.475 . . . . 1.79 109.718 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -96.75 -175.07 3.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.422 -0.354 . . . . 2.07 110.224 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -58.73 -41.22 85.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.765 0.317 . . . . 1.87 110.844 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.23 -42.22 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 2.68 110.589 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.94 -40.02 87.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.14 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' CG ' ' A' ' 38' ' ' PHE . 47.5 mt -65.9 -39.99 91.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 2.07 110.943 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.07 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 1.29 110.28 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -70.13 -44.92 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.842 -0.617 . . . . 1.24 110.834 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.41 -50.99 71.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 1.18 111.121 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.5 mt -62.78 -42.62 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 1.35 110.776 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 m -61.08 -36.95 81.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.256 0.55 . . . . 1.66 110.833 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -75.22 -31.61 60.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.583 -0.735 . . . . 1.65 110.517 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 2.5 mm? -70.23 -34.9 73.44 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.494 -0.321 . . . . 1.79 110.693 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.48 -38.24 71.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.81 110.195 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.94 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 1.38 111.576 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.16 -43.69 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.462 -0.335 . . . . 1.33 111.071 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -96.84 -30.18 13.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.208 0.447 . . . . 1.39 112.208 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.94 -3.32 87.36 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.432 -0.667 . . . . 1.23 111.432 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.2 p -133.35 123.12 24.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.203 -0.499 . . . . 2.22 109.836 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 21.0 t70 -146.74 120.57 5.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 4.01 111.157 -177.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 1.8 Cg_endo -85.1 115.47 1.69 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.925 2.417 . . . . 4.49 110.812 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -99.72 -3.55 32.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.869 -0.332 . . . . 4.63 111.478 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.48 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 5.26 111.298 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.4 -14.1 55.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.232 -0.44 . . . . 5.89 110.82 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.78 -0.08 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.494 . . . . 3.11 111.381 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.23 -45.75 89.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.251 0.548 . . . . 3.8 109.772 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -93.97 111.19 22.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.835 -0.621 . . . . 2.22 109.507 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.69 -14.45 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.533 . . . . 1.94 111.088 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 p -75.72 -5.25 44.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 2.04 111.945 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -80.42 -30.24 37.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 2.4 110.44 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.68 90.23 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.779 -0.646 . . . . 1.26 109.929 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.47 -45.8 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 1.5 110.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -119.64 168.0 11.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.515 . . . . 1.33 111.349 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 89.0 t -58.14 -40.0 75.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.371 . . . . 1.35 110.348 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.88 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.643 -0.708 . . . . 1.18 112.266 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.68 -41.27 88.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 2.04 110.863 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.11 -40.8 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 1.19 110.379 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.41 97.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 1.09 111.249 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.77 -31.76 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.683 0.278 . . . . 4.78 110.656 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 86' ' ' GLN . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.027 0.441 . . . . 1.29 110.475 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 55' ' ' LEU . 73.8 m-85 -87.77 -11.43 48.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.149 -0.478 . . . . 1.31 111.425 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.28 54.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.403 0.621 . . . . 1.17 109.395 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -80.0 -21.27 43.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.143 -0.935 . . . . 3.47 109.574 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.6 mm-40 -90.91 160.75 15.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.44 -0.8 . . . . 4.22 110.26 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.64 26.39 63.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.861 -0.685 . . . . 2.96 112.187 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 19.1 m -96.6 126.7 42.36 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.811 0.339 . . . . 4.03 111.154 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.98 115.81 3.18 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.554 2.17 . . . . 5.49 111.587 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.35 -132.65 6.68 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.021 -0.609 . . . . 6.5 112.209 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.13 137.31 47.63 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.684 2.256 . . . . 8.95 112.005 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -61.56 119.65 48.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 9.92 109.656 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.13 -27.08 57.15 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.708 2.272 . . . . 11.69 113.024 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -170.9 117.76 0.47 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 12.71 110.522 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.21 -38.39 95.33 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.506 2.804 . . . . 14.26 113.688 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -69.26 -40.48 77.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.255 0.55 . . . . 16.8 109.726 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.83 -38.47 78.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.067 -0.97 . . . . 13.85 111.048 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.37 75.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 14.0 110.5 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -62.22 -53.55 53.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 17.29 110.966 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 83.8 mt -84.29 63.49 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.919 -0.582 . . . . 17.43 110.562 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -62.93 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.456 0.539 . . . . 16.96 112.456 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -107.51 6.99 28.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.674 -0.41 . . . . 18.98 110.853 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.5 tp -139.58 58.83 1.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.394 0.616 . . . . 19.61 110.422 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 80.2 mtt180 -97.73 75.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.843 -0.617 . . . . 20.5 110.631 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -122.15 -61.1 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.247 -0.433 . . . . 23.01 110.671 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.096 -0.956 . . . . 22.66 110.945 -179.257 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.909 -0.476 . . . . 5.69 111.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.28 55.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.519 0.676 . . . . 5.26 110.147 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.421 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 10.4 m-20 -90.86 112.32 52.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.507 -0.769 . . . . 3.49 109.347 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -49.87 -35.43 39.96 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.874 3.049 . . . . 3.09 114.331 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -71.74 -18.67 62.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 5.53 110.945 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 63.0 p -106.0 -15.57 14.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.464 -0.334 . . . . 3.1 111.318 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 6' ' ' VAL . 60.9 mt -60.16 -40.73 90.93 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.589 0.218 . . . . 2.93 111.589 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -62.77 -39.04 92.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.126 0.488 . . . . 2.92 110.174 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -69.55 -34.69 74.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 3.62 110.093 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 1' ' ' THR . 78.1 mt-30 -66.74 -35.25 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 3.04 110.632 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 2' ' ' LEU . 99.0 t -63.75 -47.29 91.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.092 0.473 . . . . 2.07 110.073 175.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.6 tpt -70.09 -34.46 73.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.701 -0.681 . . . . 1.33 110.326 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.14 -42.3 85.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.36 110.484 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.68 -50.92 71.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 3.26 111.204 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG22 ' HH ' ' A' ' 59' ' ' TYR . 11.1 p -72.47 -34.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 2.02 111.108 -178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.15 -37.84 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.77 110.534 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.08 -31.01 71.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.55 109.959 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.11 -50.44 48.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.409 -0.814 . . . . 1.98 110.567 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.3 m -62.24 -36.71 75.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 120.844 -0.342 . . . . 1.69 110.584 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.17 -49.39 74.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.149 0.5 . . . . 1.09 110.158 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -59.95 -37.15 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.796 . . . . 2.67 110.76 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 84.9 mm-40 -74.16 -42.3 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 1.77 111.108 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 14' ' ' VAL . 84.9 mt -60.33 -43.24 93.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.526 -0.306 . . . . 1.19 110.454 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.34 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.19 110.879 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.83 -51.75 56.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 2.84 111.043 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 -52.52 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 1.28 111.188 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.05 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.233 -0.187 . . . . 2.34 111.089 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.72 72.44 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.746 -0.74 . . . . 0.94 112.144 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.29 55.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 1.47 111.037 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.87 -30.99 56.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 3.69 110.638 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.43 16.89 51.78 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.23 111.548 -176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.95 148.1 18.89 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.086 -0.578 . . . . 1.27 112.034 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.52 127.19 20.13 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.819 2.346 . . . . 1.94 112.578 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 tp -90.5 114.69 26.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.118 -0.492 . . . . 3.02 110.161 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 m -110.76 172.24 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 1.88 110.318 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.61 24.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.945 0.402 . . . . 1.51 110.924 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -105.44 139.86 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 2.04 110.457 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.94 171.63 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.157 -0.474 . . . . 2.05 109.785 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.96 -31.03 44.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.888 0.375 . . . . 1.28 111.082 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -93.18 5.67 50.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.272 0.558 . . . . 2.28 110.768 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.1 m -68.15 136.43 53.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.962 0.411 . . . . 1.53 110.651 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.0 130.72 36.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.88 -0.785 . . . . 3.63 108.88 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 86.5 m-85 -58.89 -39.63 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 0.66 111.842 -174.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.577 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 22.7 m -65.09 -41.08 95.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.017 0.437 . . . . 2.06 110.308 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.66 -28.38 65.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.615 -0.721 . . . . 2.2 110.304 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.5 tp -74.17 -20.13 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.626 -0.716 . . . . 2.05 110.713 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 7.94 12.04 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.86 -0.686 . . . . 0.69 113.13 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.4 mm? -104.57 123.2 47.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.35 . . . . 1.79 110.056 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 t -79.28 173.47 12.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.378 -0.601 . . . . 2.07 109.378 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 p -57.01 -40.87 77.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.88 0.371 . . . . 1.87 110.652 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.26 -43.47 98.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 2.68 110.6 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB3' HD11 ' A' ' 43' ' ' LEU . 19.8 m-20 -66.99 -42.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.819 -0.628 . . . . 1.11 109.995 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.0 tp -62.6 -40.91 98.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.476 -0.784 . . . . 2.07 110.436 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.05 87.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.878 0.37 . . . . 1.29 110.59 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -66.31 -42.08 88.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 1.24 110.089 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.4 tp -61.01 -47.83 84.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 1.18 111.091 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.6 mt -63.7 -43.72 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.35 111.317 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 p -67.77 -38.57 83.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 1.66 111.132 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 1.65 110.472 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.13 -36.84 75.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 1.79 110.267 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.92 -43.65 94.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.855 -0.611 . . . . 1.81 110.267 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.13 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.38 111.35 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.63 -48.47 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.365 . . . . 1.33 110.74 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.496 ' HH ' HG22 ' A' ' 10' ' ' VAL . 60.3 m-85 -85.28 -44.91 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 1.39 111.821 -176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.15 14.67 82.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.017 -0.611 . . . . 1.23 111.945 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 p -129.6 169.2 15.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.597 0.221 . . . . 2.22 111.597 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 71.37 115.96 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.569 0 O-C-N 124.282 0.989 . . . . 4.01 111.821 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.87 130.73 9.71 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.998 2.466 . . . . 4.49 112.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -112.21 11.9 20.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.075 -0.511 . . . . 4.63 111.888 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.63 83.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.71 0.291 . . . . 5.26 110.993 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.61 -10.29 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.441 0.639 . . . . 5.89 110.39 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.28 29.42 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.182 -0.917 . . . . 3.11 110.76 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.63 -14.78 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.862 -0.608 . . . . 3.8 111.747 -174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.24 104.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 2.22 110.502 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.39 -31.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 1.94 111.529 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.9 p -77.2 -2.96 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.281 0.474 . . . . 2.04 112.281 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 m -75.37 -24.4 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.457 . . . . 2.4 110.444 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.14 98.56 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.509 . . . . 1.26 109.696 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.45 -60.38 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.047 -0.524 . . . . 1.5 110.715 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -111.17 174.84 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 1.33 110.909 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 83.2 t -59.57 -35.78 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.181 0.515 . . . . 1.35 110.084 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.03 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.431 -0.804 . . . . 1.18 111.713 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.09 -35.53 81.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 2.04 110.71 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.7 tp -80.8 -50.75 9.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 1.19 110.913 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.21 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 1.09 111.88 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.99 -31.88 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 4.78 110.841 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.66 -56.5 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 1.29 111.017 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -66.37 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.561 -0.29 . . . . 1.31 111.343 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.63 61.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 1.17 111.627 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.68 -11.93 60.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 3.47 110.927 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -89.05 126.01 35.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.977 0.418 . . . . 4.22 110.41 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.66 28.21 14.92 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.785 -0.643 . . . . 2.96 112.543 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.86 136.87 21.18 Favored Pre-proline 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 4.03 111.215 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -81.25 109.75 2.17 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.659 2.239 . . . . 5.49 111.586 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -133.33 -104.28 0.87 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.561 -0.828 . . . . 6.5 112.166 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.67 137.08 34.89 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.486 2.124 . . . . 8.95 112.13 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 m -66.74 120.67 72.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.913 -0.585 . . . . 9.92 110.151 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.7 -36.45 61.57 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.847 3.031 . . . . 11.69 113.557 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -110.21 103.75 54.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.727 0.299 . . . . 12.71 110.88 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.35 -29.17 88.26 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.836 2.357 . . . . 14.26 112.151 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.67 -37.56 73.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.82 -0.627 . . . . 16.8 109.996 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.25 -28.48 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 13.85 110.055 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.79 -26.95 64.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.62 . . . . 14.0 110.781 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.61 -36.55 26.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 17.29 110.409 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.9 mt -98.96 52.45 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 17.43 110.999 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 2.7 mmp_? -77.17 -29.97 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.424 . . . . 16.96 111.138 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -92.53 -1.7 56.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.346 0.593 . . . . 18.98 110.015 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 59.61 35.38 22.49 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.002 -0.999 . . . . 19.61 110.927 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 3.9 tpm_? -124.34 118.12 26.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.33 -0.85 . . . . 20.5 109.177 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -72.97 -35.77 66.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 23.01 111.128 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--O 1.247 0.932 0 O-C-N 124.014 0.821 . . . . 22.66 110.961 -178.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.555 -0.618 . . . . 5.69 111.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.9 tt -145.08 138.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.146 0.498 . . . . 5.26 110.761 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.46 146.77 81.38 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.695 -0.684 . . . . 3.49 110.171 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.99 -24.06 55.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.246 2.63 . . . . 3.09 112.765 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.63 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 5.53 110.283 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 p -68.81 -22.91 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 3.1 110.997 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.86 -40.54 95.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 2.93 110.522 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -68.89 -35.15 76.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.173 0.511 . . . . 2.92 109.907 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -67.08 -40.46 86.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 3.62 109.551 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.75 -46.44 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.614 . . . . 3.04 111.623 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.39 -29.23 41.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.998 0.428 . . . . 2.07 110.084 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.7 tpt -68.1 -39.6 82.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.485 -0.561 . . . . 1.33 109.485 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.58 -40.96 84.64 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.942 -0.572 . . . . 1.36 110.369 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.28 -51.99 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.345 -0.843 . . . . 3.26 110.806 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.86 -43.96 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 2.02 111.407 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.447 -0.342 . . . . 0.77 111.316 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.9 -33.31 75.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.55 110.146 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 56.3 tp60 -63.32 -55.06 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 1.98 110.605 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.2 m -63.91 -36.2 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 1.69 110.991 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.73 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.982 0.42 . . . . 1.09 110.106 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 51.7 t-80 -56.73 -44.58 81.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 2.67 110.501 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -63.87 -41.86 97.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 1.77 110.838 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.8 mt -58.72 -46.73 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 1.19 110.362 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -34.77 76.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.717 -0.674 . . . . 1.19 111.485 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -72.14 -43.32 64.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.62 0.248 . . . . 2.84 111.041 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.8 -44.84 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 1.28 110.554 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.0 tp -68.34 -37.41 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 2.34 110.633 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.67 95.13 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.113 -0.565 . . . . 0.94 112.381 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.45 -18.15 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.112 0.482 . . . . 1.47 110.968 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -82.72 -20.75 35.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 3.69 110.292 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 9.38 44.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.73 . . . . 1.23 111.992 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.87 157.84 23.03 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.993 -0.622 . . . . 1.27 111.97 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.86 157.29 47.69 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.775 2.316 . . . . 1.94 111.768 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -74.58 108.69 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.53 -0.915 . . . . 3.02 108.53 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 m -87.97 156.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 1.88 111.364 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.07 100.16 8.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 1.51 109.581 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.12 114.5 17.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.82 -0.627 . . . . 2.04 110.821 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 24.7 mm-40 -95.2 153.03 17.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.273 -0.64 . . . . 2.05 109.273 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -64.86 -26.52 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.093 0.473 . . . . 1.28 110.822 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -98.64 4.77 48.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 2.28 111.337 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.516 ' OG ' ' HB2' ' A' ' 33' ' ' GLU . 73.6 m -67.01 117.67 9.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.411 . . . . 1.53 111.3 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -69.41 126.31 29.38 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.296 -1.001 . . . . 3.63 108.296 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CG ' HD22 ' A' ' 48' ' ' LEU . 45.9 m-85 -49.93 -53.0 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.791 0.663 . . . . 0.66 112.791 -169.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.0 m -66.01 -29.27 69.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.738 0.304 . . . . 2.06 111.465 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.42 -30.49 64.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 2.2 110.292 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 tp -79.77 -17.24 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 2.05 110.654 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.22 5.0 15.37 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.839 -0.696 . . . . 0.69 112.999 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.88 103.42 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.959 0.409 . . . . 1.79 110.169 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 -178.99 7.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.191 -0.458 . . . . 2.07 111.399 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -50.54 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 1.87 111.87 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.1 -40.99 91.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 2.68 110.815 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 -41.24 98.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 1.11 110.445 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD22 ' CG ' ' A' ' 38' ' ' PHE . 34.6 mt -59.41 -47.53 85.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 2.07 111.28 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -47.17 80.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 1.29 110.398 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -65.1 -43.34 92.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 1.24 110.871 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.03 -54.11 48.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 1.18 111.342 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.435 HG22 ' HH ' ' A' ' 83' ' ' TYR . 35.1 mt -67.43 -28.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.337 -0.392 . . . . 1.35 110.898 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -66.5 -41.71 88.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.841 0.353 . . . . 1.66 110.577 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.18 -36.57 77.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 1.65 109.837 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.57 -36.19 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 1.79 110.417 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.68 -45.36 81.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.181 -0.463 . . . . 1.81 110.219 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.06 63.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 1.38 111.421 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.49 -50.94 19.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.414 -0.357 . . . . 1.33 110.798 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.76 -32.62 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 1.39 112.119 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.23 13.2 82.26 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.024 -0.608 . . . . 1.23 112.033 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 p -126.23 -175.65 3.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.79 -0.205 . . . . 2.22 110.499 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 75.97 110.67 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.355 0 O-C-N 124.212 0.945 . . . . 4.01 112.035 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.07 131.96 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.125 2.55 . . . . 4.49 112.674 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -74.14 -7.1 51.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 4.63 111.357 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.74 86.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 5.26 110.049 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.43 -40.36 23.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 5.89 109.925 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.13 28.56 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 3.11 111.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.17 -22.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 3.8 109.917 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.19 77.01 8.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.611 -0.722 . . . . 2.22 110.124 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.83 -22.81 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 1.94 110.641 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 p -69.4 -13.6 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 2.04 111.642 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -79.93 -19.26 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.382 -0.599 . . . . 2.4 109.382 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.93 89.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.666 -0.697 . . . . 1.26 109.419 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.06 -51.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.129 -0.487 . . . . 1.5 110.551 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -107.22 162.43 13.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.128 -0.487 . . . . 1.33 110.583 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.52 -37.73 53.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 1.35 110.192 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.94 -38.7 62.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.649 -0.705 . . . . 1.18 111.681 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -63.52 -48.27 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 2.04 110.918 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.5 tp -70.96 -42.72 69.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 1.19 110.48 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.28 83.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 1.09 111.39 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 47.8 mtm105 -62.04 -36.11 80.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.718 -0.219 . . . . 4.78 111.288 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.16 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 1.29 110.918 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' HH ' HG22 ' A' ' 52' ' ' ILE . 88.0 m-85 -82.25 -12.57 57.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 1.31 111.39 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.57 -24.52 61.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 1.17 110.131 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 79.7 mm-40 -77.4 -16.85 58.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 3.47 110.393 176.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -78.9 113.63 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 4.22 109.879 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.18 -24.21 4.78 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.939 -0.648 . . . . 2.96 111.986 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -109.21 130.14 23.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.764 0.316 . . . . 4.03 110.358 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.77 109.18 1.21 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.55 2.167 . . . . 5.49 112.646 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.98 -108.73 3.23 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.839 -0.904 . . . . 6.5 110.839 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.41 118.93 5.92 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.18 1.92 . . . . 8.95 110.75 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.4 p -83.59 119.44 73.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.645 -0.252 . . . . 9.92 110.934 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.78 -21.07 38.98 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.512 2.142 . . . . 11.69 111.699 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -127.91 84.73 62.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.474 0.654 . . . . 12.71 110.463 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -86.26 -3.66 8.63 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.827 2.351 . . . . 14.26 112.797 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.77 -41.74 99.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.38 . . . . 16.8 110.783 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.622 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 1.6 m-20 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 13.85 111.157 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.49 73.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.969 0.414 . . . . 14.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -70.2 -47.85 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.726 -0.67 . . . . 17.29 110.442 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 88.7 mt -87.61 93.76 9.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.918 -0.583 . . . . 17.43 109.997 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -61.8 -35.84 79.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.743 -0.662 . . . . 16.96 111.525 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.71 -24.96 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 18.98 110.509 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -80.69 -37.24 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 19.61 109.7 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.622 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 19.7 tpt180 -67.33 -38.35 84.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.536 -0.756 . . . . 20.5 111.011 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.58 96.71 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 23.01 110.344 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.51 -0.757 . . . . 22.66 109.968 -178.336 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.609 -0.596 . . . . 5.69 111.609 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 pt -69.08 141.88 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 5.26 110.695 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -105.66 109.5 63.25 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.176 -0.466 . . . . 3.49 110.683 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.84 -20.26 34.7 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.49 2.127 . . . . 3.09 112.539 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -71.93 -49.02 41.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 5.53 110.995 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 3.2 p -67.35 -35.81 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.471 -0.331 . . . . 3.1 111.125 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.14 -40.26 97.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.244 0.545 . . . . 2.93 109.703 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.18 -38.48 89.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 2.92 110.184 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -63.12 -36.04 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 3.62 110.619 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 1' ' ' THR . 92.1 mt-30 -63.59 -50.86 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 3.04 110.108 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.2 -36.54 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 2.07 110.463 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.51 -37.03 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.749 -0.66 . . . . 1.33 110.849 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.12 -37.98 87.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.08 0.467 . . . . 1.36 110.089 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 92.1 mt-30 -63.95 -46.42 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 3.26 111.16 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.894 HG22 ' HH ' ' A' ' 59' ' ' TYR . 8.9 p -70.84 -35.52 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.955 -0.298 . . . . 2.02 110.533 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HA ' HG22 ' A' ' 14' ' ' VAL . 55.2 t80 -63.12 -43.75 97.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.641 0.257 . . . . 0.77 110.413 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.09 -36.25 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.55 110.933 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 11.7 tt0 -77.35 -45.2 26.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.988 -0.551 . . . . 1.98 111.053 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.5 m -66.03 -33.76 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.723 -0.391 . . . . 1.69 110.303 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.37 -45.87 90.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.184 0.516 . . . . 1.09 109.784 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 32.5 t-80 -62.32 -40.7 97.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 2.67 110.415 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 12.5 mm100 -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 1.77 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.9 mt -58.67 -45.32 90.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.15 0.5 . . . . 1.19 109.851 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.0 71.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.74 . . . . 1.19 111.371 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.3 mm-40 -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 2.84 110.349 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.5 -42.33 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.28 110.248 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 84.8 mt -60.67 -41.76 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 2.34 110.403 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.95 -36.16 90.57 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.718 -0.674 . . . . 0.94 112.114 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -32.64 74.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 1.47 110.745 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -77.44 -22.18 51.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 3.69 110.37 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.07 22.31 78.03 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.319 -0.855 . . . . 1.23 111.563 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.09 177.56 33.97 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.791 -0.719 . . . . 1.27 112.794 -174.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.97 146.13 51.9 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.182 2.588 . . . . 1.94 111.939 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.63 134.53 48.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 3.02 110.369 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.05 171.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.991 -0.55 . . . . 1.88 110.506 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 106.13 18.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.721 -0.474 . . . . 1.51 109.721 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.36 112.15 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.428 0.632 . . . . 2.04 112.149 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -112.81 174.65 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.948 -0.76 . . . . 2.05 108.948 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -72.09 -26.35 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.466 0.65 . . . . 1.28 110.141 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.39 2.53 52.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 2.28 111.026 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -75.55 143.24 42.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.112 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -90.04 140.27 29.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.026 -0.731 . . . . 3.63 109.026 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -64.69 -16.77 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.478 0.547 . . . . 0.66 112.478 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 t -65.21 -34.91 79.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.101 0.477 . . . . 2.06 109.819 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.24 -12.3 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 2.2 110.204 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.05 1.95 39.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.604 -0.726 . . . . 2.05 110.777 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 31.34 68.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.69 112.564 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 mt -119.24 119.35 33.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.9 0.381 . . . . 1.79 110.59 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 t -96.47 -173.47 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 2.07 110.391 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 t -58.62 -41.55 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.004 0.431 . . . . 1.87 110.774 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.98 -39.5 93.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.353 0.597 . . . . 2.68 110.541 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -71.2 -35.95 71.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 1.11 109.928 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 52' ' ' ILE . 29.3 mt -60.88 -49.76 76.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.882 -0.599 . . . . 2.07 110.814 175.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.5 71.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.283 0.563 . . . . 1.29 110.585 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 m -69.13 -44.0 73.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 1.24 110.804 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.36 -45.44 91.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 1.18 111.096 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 48' ' ' LEU . 68.4 mt -60.55 -37.49 75.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 1.35 110.424 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m -69.51 -35.05 75.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.376 -0.375 . . . . 1.66 110.803 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.06 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 1.65 110.914 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 tp -87.22 -31.24 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.139 0.495 . . . . 1.79 110.17 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.27 -48.52 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.452 -0.795 . . . . 1.81 110.94 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.32 -9.3 46.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 1.38 111.936 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.19 -46.03 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.578 -0.283 . . . . 1.33 110.871 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.894 ' HH ' HG22 ' A' ' 10' ' ' VAL . 32.2 m-85 -98.07 -19.05 18.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.141 0.423 . . . . 1.39 112.141 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.04 24.1 76.51 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.72 -0.753 . . . . 1.23 111.572 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 p -86.68 166.21 15.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.779 0.323 . . . . 2.22 111.057 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -89.92 121.64 68.67 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.951 -0.568 . . . . 4.01 109.617 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.4 115.67 3.03 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.298 1.999 . . . . 4.49 111.937 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -85.11 -2.43 57.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.957 -0.565 . . . . 4.63 111.307 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.935 0.398 . . . . 5.26 111.373 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.0 -12.48 33.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 5.89 110.83 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.63 -39.39 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 3.11 111.926 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.04 10.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.158 0.504 . . . . 3.8 110.24 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.75 140.09 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.14 -0.936 . . . . 2.22 112.305 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.0 tp -71.72 -20.09 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 1.94 111.036 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.1 p -69.53 -13.48 62.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 2.04 111.384 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -68.85 -22.26 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 2.4 110.518 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -81.46 96.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.948 -0.569 . . . . 1.26 110.338 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.55 -53.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 1.5 110.086 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -117.98 176.85 5.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.205 -0.452 . . . . 1.33 110.88 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.54 -35.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.607 -0.516 . . . . 1.35 109.607 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.71 71.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.382 -0.827 . . . . 1.18 111.659 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.6 -45.32 85.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.018 0.437 . . . . 2.04 110.816 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.14 -47.23 45.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 1.19 110.984 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.27 64.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 1.09 111.742 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -66.72 -23.27 66.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 4.78 111.222 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.85 -53.22 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.413 -0.358 . . . . 1.29 110.376 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -79.6 -20.96 45.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 1.31 111.303 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -28.17 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 1.17 110.734 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -81.24 -13.63 58.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 3.47 110.842 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -90.15 114.62 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.744 -0.465 . . . . 4.22 109.744 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.94 22.09 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.346 -0.93 . . . . 2.96 112.945 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.07 123.38 87.26 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.955 0.377 . . . . 4.03 110.701 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -62.07 110.79 1.08 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.641 2.227 . . . . 5.49 111.899 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.18 -82.89 1.05 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.893 -0.67 . . . . 6.5 112.021 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.44 164.12 36.56 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.721 2.281 . . . . 8.95 111.074 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.4 t -61.2 118.56 37.56 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.518 -0.31 . . . . 9.92 110.194 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.75 -4.4 14.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.064 2.509 . . . . 11.69 112.439 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 t70 -115.66 120.23 36.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 12.71 110.288 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 94' ' ' ASP . 32.4 Cg_exo -59.76 -29.93 90.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.072 2.515 . . . . 14.26 113.068 -177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 42.6 mt -74.2 -44.7 52.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.153 -0.476 . . . . 16.8 110.054 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.15 -31.14 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 13.85 110.528 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.09 -28.82 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 14.0 110.908 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -81.38 -49.1 11.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 17.29 110.097 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.9 tp -87.51 52.25 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.793 0.806 . . . . 17.43 109.607 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -75.85 -51.18 13.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.125 -0.943 . . . . 16.96 110.365 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -98.83 -65.78 0.94 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.869 -0.605 . . . . 18.98 110.202 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -179.25 -65.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.646 -0.706 . . . . 19.61 110.274 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -169.39 -166.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 20.5 109.979 -176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 66.92 37.3 4.01 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.555 0.693 . . . . 23.01 110.038 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.593 -0.718 . . . . 22.66 110.287 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.08 -0.408 . . . . 5.69 112.08 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . 0.596 ' O ' ' HD3' ' A' ' -1' ' ' PRO . 0.2 OUTLIER -128.22 163.89 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.949 -0.389 . . . . 5.26 109.949 179.757 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -100.73 94.25 3.47 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.13 0.49 . . . . 3.49 110.869 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' -3' ' ' ILE . 14.5 Cg_exo -70.21 -37.06 8.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.329 2.686 . . . . 3.09 113.249 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.18 -27.99 69.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 5.53 111.451 -173.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m -59.7 -41.56 91.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.347 -0.388 . . . . 3.1 111.202 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.15 -40.15 86.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 2.93 110.087 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.05 -50.04 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.789 -0.641 . . . . 2.92 111.076 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.08 -29.5 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.302 -0.408 . . . . 3.62 110.505 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.41 -52.82 50.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 3.04 110.751 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.79 -29.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 2.07 110.477 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.1 tpt -62.98 -44.94 94.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.709 -0.478 . . . . 1.33 109.709 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.0 -38.43 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.36 110.351 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.1 -51.28 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 3.26 110.447 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.11 -45.11 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.607 -0.724 . . . . 2.02 110.686 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' HA ' HG21 ' A' ' 14' ' ' VAL . 90.1 t80 -61.75 -45.85 92.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.77 110.833 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.96 -40.6 85.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 0.55 110.799 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.5 -46.1 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.895 -0.593 . . . . 1.98 111.062 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 18' ' ' ILE . 20.6 m -70.55 -35.71 62.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.84 -0.344 . . . . 1.69 110.469 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.08 -48.57 79.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.183 0.516 . . . . 1.09 110.065 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.08 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.322 -0.853 . . . . 2.67 110.047 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' HG22 ' A' ' 21' ' ' VAL . 2.9 tp-100 -69.99 -42.35 73.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.976 -0.556 . . . . 1.77 110.598 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 14' ' ' VAL . 97.6 mt -58.94 -47.34 90.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.914 0.388 . . . . 1.19 110.34 176.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.99 81.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.763 -0.653 . . . . 1.19 110.77 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -62.51 -44.63 95.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 2.84 110.861 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 17' ' ' GLN . 84.5 t -63.6 -43.19 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 1.28 110.675 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.55 -44.69 95.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 2.34 110.765 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.54 -36.2 87.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.83 -0.623 . . . . 0.94 112.16 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.3 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 1.47 110.841 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.02 -10.32 59.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 3.69 111.087 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.15 76.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.939 -0.648 . . . . 1.23 111.793 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.76 167.62 25.77 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.933 -0.651 . . . . 1.27 112.193 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.23 124.62 14.19 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.844 2.363 . . . . 1.94 112.052 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.1 tp -71.46 109.48 5.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.126 0.488 . . . . 3.02 110.205 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.95 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.592 -0.731 . . . . 1.88 110.703 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.07 90.79 7.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 1.51 110.146 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -77.37 122.69 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.893 -0.594 . . . . 2.04 110.687 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.33 179.86 4.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.583 -0.735 . . . . 2.05 110.163 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -61.37 -41.03 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 112.306 0.484 . . . . 1.28 112.306 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.23 22.65 13.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.913 0.387 . . . . 2.28 111.452 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.5 m -75.75 140.97 42.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.322 -0.399 . . . . 1.53 110.395 176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 49.5 mtp180 -94.99 127.97 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.205 0.526 . . . . 3.63 109.816 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CG ' HD21 ' A' ' 48' ' ' LEU . 62.8 m-85 -56.11 -37.46 69.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.985 -1.007 . . . . 0.66 112.424 -172.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -59.42 -42.2 91.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.137 0.494 . . . . 2.06 111.031 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.28 -15.22 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 2.2 110.759 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 88.5 mt -88.22 -20.79 25.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.48 . . . . 2.05 110.781 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.62 17.34 10.58 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.8 -0.714 . . . . 0.69 112.491 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.3 mm? -105.45 100.19 9.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.829 -0.434 . . . . 1.79 109.829 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -83.54 -173.03 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.204 -0.453 . . . . 2.07 110.344 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 m -57.5 -49.43 76.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 1.87 111.131 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.19 -37.07 86.14 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.247 -0.433 . . . . 2.68 110.759 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.04 -45.74 90.82 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.945 -0.391 . . . . 1.11 109.945 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 38' ' ' PHE . 51.7 mt -63.03 -48.16 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 2.07 111.211 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.19 -42.32 69.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 1.29 110.658 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -71.48 -46.06 60.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 1.24 110.629 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.57 -49.74 76.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 1.18 111.517 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.2 mt -63.64 -38.36 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.711 0.291 . . . . 1.35 110.57 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 35.1 m -70.0 -34.87 73.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 1.66 110.375 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -69.04 -30.67 69.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.862 -0.608 . . . . 1.65 109.837 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.13 -21.72 49.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.568 . . . . 1.79 110.806 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 53' ' ' SER . 25.4 tt0 -62.34 -37.97 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.286 0.565 . . . . 1.81 109.668 173.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 -11.52 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 1.38 110.672 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.5 t -92.43 -59.11 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.822 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -96.22 -50.26 4.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.39 111.293 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.19 9.63 76.23 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.064 -0.588 . . . . 1.23 112.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -108.24 165.08 11.76 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.945 -0.15 . . . . 2.22 111.085 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t0 58.72 75.92 0.49 Allowed Pre-proline 0 N--CA 1.469 0.477 0 O-C-N 123.739 0.65 . . . . 4.01 111.05 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.29 161.11 20.91 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.315 2.677 . . . . 4.49 113.208 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.47 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 47.5 m-85 -75.64 8.96 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.242 -0.89 . . . . 4.63 112.115 -175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.44 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.472 -0.566 . . . . 5.26 109.472 172.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -105.77 -22.82 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 5.89 110.384 176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . . . -85.08 18.28 2.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.101 0.477 . . . . 3.11 110.957 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.6 p -80.79 -14.08 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.368 0.604 . . . . 3.8 109.866 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.95 77.14 3.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.481 -0.781 . . . . 2.22 110.495 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.0 tt -73.34 -27.46 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 1.94 111.107 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -69.58 -20.93 63.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 2.04 110.979 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -78.59 -18.43 54.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.003 -0.544 . . . . 2.4 110.261 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.96 89.4 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.525 -0.546 . . . . 1.26 109.525 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.92 -49.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.093 -0.503 . . . . 1.5 110.609 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 p -107.97 165.79 11.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 1.33 110.68 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.69 -37.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.826 0.346 . . . . 1.35 110.115 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 81' ' ' ARG . . . -51.76 -44.69 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 1.18 111.807 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -58.67 -41.13 85.44 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.941 0.401 . . . . 2.04 111.05 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.8 tp -79.42 -40.34 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 1.19 110.762 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.1 81.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 1.09 111.176 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 5.7 ptp180 -65.46 -25.53 67.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.733 -0.212 . . . . 4.78 111.016 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.61 28.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.923 0.392 . . . . 1.29 110.563 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -75.44 -23.07 56.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 1.31 111.531 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' O ' ' HB ' ' A' ' 88' ' ' VAL . . . -80.52 -17.68 50.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.345 . . . . 1.17 111.399 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -96.95 -40.0 9.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.323 -0.398 . . . . 3.47 110.556 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -86.55 118.24 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 4.22 110.562 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 70.78 34.85 66.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.119 -0.562 . . . . 2.96 112.415 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.461 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 3.2 p -79.07 131.86 65.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.3 . . . . 4.03 110.323 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.34 108.36 0.68 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.498 2.132 . . . . 5.49 111.357 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.3 161.5 20.68 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.786 -0.721 . . . . 6.5 111.888 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.04 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.52 2.147 . . . . 8.95 111.092 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -67.17 118.16 53.26 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.25 -0.432 . . . . 9.92 110.02 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.49 -8.83 14.93 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.416 2.077 . . . . 11.69 110.89 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . 7.1 p-10 -129.87 59.37 44.53 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.861 -1.063 . . . . 12.71 110.904 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.29 -26.15 17.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.076 1.851 . . . . 14.26 112.269 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 tt -90.72 -43.3 10.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.677 -0.692 . . . . 16.8 109.864 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 8.1 m-20 -66.61 -30.07 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 13.85 111.291 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.31 -21.41 63.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 14.0 110.813 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.86 -55.27 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.312 . . . . 17.29 110.759 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.449 ' H ' HD22 ' A' ' 100' ' ' LEU . 2.7 pt? -87.76 20.25 3.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.204 0.526 . . . . 17.43 110.804 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -81.45 -29.38 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.793 -0.64 . . . . 16.96 109.989 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.86 -28.83 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.686 -0.688 . . . . 18.98 110.645 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.1 tp -86.49 122.89 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.828 -0.624 . . . . 19.61 110.838 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -84.17 109.51 17.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.234 -0.439 . . . . 20.5 109.88 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -92.22 144.97 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.008 0.433 . . . . 23.01 110.838 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.539 -0.744 . . . . 22.66 109.803 179.346 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.701 -0.559 . . . . 5.69 111.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -114.28 157.83 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.987 0.422 . . . . 5.26 111.264 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -112.93 89.15 13.03 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.58 -0.736 . . . . 3.49 109.956 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -57.54 -33.78 97.02 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.624 2.883 . . . . 3.09 114.196 -172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.21 -54.13 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 5.53 110.867 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.94 54.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.052 -0.522 . . . . 3.1 111.147 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.11 -40.26 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 2.93 109.847 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.66 -33.61 73.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 2.92 110.527 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -83.48 -27.22 29.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.175 -0.466 . . . . 3.62 110.672 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -66.0 -48.76 70.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 3.04 110.546 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.01 -29.66 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.992 0.425 . . . . 2.07 110.209 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.49 -41.15 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.013 -0.54 . . . . 1.33 109.745 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.54 -31.85 73.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.68 -0.691 . . . . 1.36 110.842 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.77 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 3.26 110.063 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.46 -41.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 2.02 110.23 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 14' ' ' VAL . 57.4 t80 -61.72 -38.81 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.77 110.651 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.71 -36.55 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.55 110.637 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.05 -43.27 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 1.98 110.947 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 11' ' ' PHE . 15.9 m -70.71 -36.37 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.66 -0.416 . . . . 1.69 110.144 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.28 -46.56 89.83 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.674 -0.491 . . . . 1.09 109.674 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -55.47 -48.36 74.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.236 -0.893 . . . . 2.67 110.129 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -63.25 -46.6 86.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 1.77 111.613 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.4 mt -58.12 -49.0 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 1.19 110.855 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.13 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 1.19 110.981 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.45 -46.56 79.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 2.84 110.718 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.83 -60.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.11 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.29 -45.9 92.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 2.34 111.458 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.31 93.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.052 -0.594 . . . . 0.94 112.96 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 1.47 111.239 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -90.01 6.26 43.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 3.69 111.114 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.18 23.76 73.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.858 -0.686 . . . . 1.23 112.727 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.13 164.78 53.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.934 -0.651 . . . . 1.27 112.015 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 137.09 41.34 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.574 2.183 . . . . 1.94 111.873 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.0 108.69 7.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 3.02 109.843 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 m -113.47 149.28 15.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.716 -0.674 . . . . 1.88 110.587 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.61 93.11 8.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.936 0.398 . . . . 1.51 110.595 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.19 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.519 . . . . 2.04 110.378 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -117.81 157.32 26.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.887 -0.597 . . . . 2.05 109.776 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -68.83 -20.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.186 0.517 . . . . 1.28 110.422 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -100.5 -5.48 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 2.28 111.616 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.5 p -86.28 156.59 20.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.925 0.393 . . . . 1.53 111.293 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HG2' HG11 ' A' ' 74' ' ' VAL . 78.3 mtp180 -86.37 138.89 31.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.828 -0.623 . . . . 3.63 109.771 176.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 90.5 m-85 -56.85 -28.81 62.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.916 -0.584 . . . . 0.66 111.212 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 m -61.03 -34.61 75.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.64 . . . . 2.06 111.214 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.32 -29.64 64.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.014 0.435 . . . . 2.2 110.791 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.99 -6.66 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 2.05 110.291 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.02 35.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.976 -0.63 . . . . 0.69 112.463 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -102.47 108.59 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.807 0.337 . . . . 1.79 110.44 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 t -89.08 -177.38 5.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.158 -0.474 . . . . 2.07 109.786 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -60.34 -41.17 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 1.87 110.529 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.72 -39.81 90.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 2.68 110.747 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.91 -45.73 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 1.11 110.033 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -36.33 82.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.513 -0.767 . . . . 2.07 111.421 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.11 75.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 1.29 110.403 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 m -69.51 -45.28 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.654 . . . . 1.24 110.613 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.89 -53.38 58.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.568 -0.742 . . . . 1.18 111.228 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.83 -31.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.91 -0.586 . . . . 1.35 110.874 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.7 m -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.66 110.828 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.6 m-20 -69.65 -39.91 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 1.65 110.192 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -38.89 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.756 -0.656 . . . . 1.79 110.352 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.64 -45.51 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.578 -0.737 . . . . 1.81 110.394 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.58 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 1.38 111.554 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.6 t -70.16 -39.58 77.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 1.33 111.264 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.18 -46.8 6.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.911 0.386 . . . . 1.39 111.398 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.97 82.71 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.317 -0.713 . . . . 1.23 111.317 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -117.93 158.24 25.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.567 -0.316 . . . . 2.22 111.003 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 56.6 72.6 0.94 Allowed Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.156 0.91 . . . . 4.01 112.443 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 65' ' ' ALA . 73.2 Cg_endo -75.07 176.85 9.38 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 123.232 2.621 . . . . 4.49 111.883 175.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -66.85 10.14 0.15 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.776 -0.647 . . . . 4.63 112.408 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' PRO . . . -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.333 . . . . 5.26 110.435 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 68' ' ' VAL . 23.0 t70 -110.23 -30.54 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.125 0.488 . . . . 5.89 110.138 174.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.32 28.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 3.11 111.457 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 66' ' ' ASP . 8.3 p -84.13 -19.13 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 3.8 110.001 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.25 66.93 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.708 -0.678 . . . . 2.22 110.747 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.97 -21.02 28.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.869 -0.605 . . . . 1.94 110.543 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -72.33 -22.93 61.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 2.04 110.884 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -90.88 -10.91 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.309 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -85.41 97.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.463 -0.569 . . . . 1.26 109.463 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.403 HG11 ' HG2' ' A' ' 37' ' ' ARG . 59.6 t -105.98 -60.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.057 -0.519 . . . . 1.5 110.893 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -95.18 156.66 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.099 -0.501 . . . . 1.33 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 61.3 t -63.29 -28.88 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 1.35 110.094 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.66 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.538 -0.755 . . . . 1.18 111.586 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.85 -40.94 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 2.04 111.103 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.0 tp -71.45 -47.01 58.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.637 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.81 96.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 1.09 111.007 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.53 -31.67 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 4.78 111.034 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.54 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 1.29 111.165 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.36 -14.41 38.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 1.31 110.97 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.66 -32.01 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 1.17 110.893 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -87.96 24.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 3.47 111.336 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -78.72 160.82 27.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.624 -0.51 . . . . 4.22 109.624 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.97 54.7 0.85 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.664 -0.779 . . . . 2.96 111.605 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.72 127.03 31.07 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.987 0.423 . . . . 4.03 110.31 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.44 109.44 1.2 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.864 2.376 . . . . 5.49 112.019 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.45 -169.16 41.89 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.609 -0.805 . . . . 6.5 112.394 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.52 142.55 40.66 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.138 2.559 . . . . 8.95 112.045 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 m -68.6 119.47 68.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 9.92 109.758 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.93 4.94 6.55 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.864 2.376 . . . . 11.69 113.703 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -149.4 110.86 3.43 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.164 -0.309 . . . . 12.71 110.164 177.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.9 Cg_exo -68.31 -30.99 29.5 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.661 2.241 . . . . 14.26 112.243 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 3.8 mm? -64.74 -50.5 66.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.058 -0.519 . . . . 16.8 110.591 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.31 -40.87 87.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 13.85 110.942 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.25 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.072 -0.513 . . . . 14.0 110.932 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 95' ' ' PRO . 12.5 mm100 -80.19 -42.94 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.169 -0.469 . . . . 17.29 110.478 177.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -60.89 -25.7 66.9 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.097 0.475 . . . . 17.43 110.823 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -66.0 -52.62 47.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 16.96 111.048 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -90.52 -35.45 15.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 18.98 112.346 -172.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.69 101.07 9.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.816 0.341 . . . . 19.61 110.864 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -84.82 -13.34 51.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.315 0.579 . . . . 20.5 109.535 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -110.01 71.64 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.258 -0.883 . . . . 23.01 109.401 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.405 -0.807 . . . . 22.66 110.652 -177.301 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.904 -0.479 . . . . 5.69 111.904 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 15.0 pt -134.32 151.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.063 0.459 . . . . 5.26 110.744 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.433 ' O ' HG21 ' A' ' 1' ' ' THR . 5.1 m-20 -75.01 131.93 77.99 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.787 -0.642 . . . . 3.49 110.641 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.52 -33.94 49.83 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.416 2.744 . . . . 3.09 112.978 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.05 -43.32 95.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.755 0.312 . . . . 5.53 111.075 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' -2' ' ' ASP . 10.4 t -83.6 -25.35 30.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.657 -0.417 . . . . 3.1 110.038 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.3 tp -67.4 -40.69 85.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.374 -0.376 . . . . 2.93 110.854 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.41 -38.88 85.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.181 0.515 . . . . 2.92 109.979 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -76.36 -28.94 57.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 3.62 110.633 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.62 -54.89 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 3.04 110.898 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 10' ' ' VAL . 8.5 p -63.93 -36.21 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 2.07 110.653 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 tpt -64.67 -39.3 93.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 1.33 110.076 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.92 -40.62 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 1.36 110.312 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.61 -44.52 93.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.893 -0.594 . . . . 3.26 110.526 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.45 HG13 ' HH ' ' A' ' 59' ' ' TYR . 87.0 t -66.99 -43.56 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.958 -0.565 . . . . 2.02 110.879 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -61.63 -42.33 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.558 -0.292 . . . . 0.77 110.797 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.94 -36.56 84.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.55 110.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.59 -53.39 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.607 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.17 -34.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 120.538 0.208 . . . . 1.69 110.871 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.59 -44.81 95.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.094 0.473 . . . . 1.09 110.328 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 11.1 t-160 -74.57 -38.5 62.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.933 -0.576 . . . . 2.67 110.825 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.04 -45.64 92.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 1.77 110.812 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.79 -42.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 1.19 110.391 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.37 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 1.19 111.224 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 14.5 mm100 -69.55 -43.99 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 2.84 110.746 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.81 -49.22 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 1.28 110.441 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.43 -38.6 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 2.34 111.087 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.32 -43.6 96.67 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.963 -0.637 . . . . 0.94 112.258 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.61 70.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 1.47 110.925 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -67.69 -27.51 66.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 3.69 110.741 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.08 54.44 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.742 -0.663 . . . . 1.23 111.744 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.47 166.0 29.04 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.896 -0.668 . . . . 1.27 112.084 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.25 137.53 26.13 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.879 2.386 . . . . 1.94 111.807 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' ' 29' ' ' LEU . 3.8 pp -63.77 146.03 54.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 3.02 110.572 178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.4 164.28 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.837 0.351 . . . . 1.88 111.326 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 102.72 14.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.6 . . . . 1.51 109.916 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 p -90.11 122.17 41.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 2.04 111.438 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.39 169.95 8.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.343 -0.844 . . . . 2.05 109.762 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 tp -70.36 -38.87 75.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.885 0.374 . . . . 1.28 110.753 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -91.86 14.35 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 2.28 110.853 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 t -79.2 144.15 34.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.957 0.408 . . . . 1.53 110.746 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -89.59 133.28 34.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.75 -0.659 . . . . 3.63 109.845 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 m-85 -57.93 -39.03 77.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.149 -0.932 . . . . 0.66 112.411 -173.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.0 m -69.7 -25.64 63.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.24 . . . . 2.06 111.337 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.54 -24.92 45.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.305 0.574 . . . . 2.2 109.784 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.37 -15.33 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 2.05 110.561 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.75 -6.79 25.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.698 -0.763 . . . . 0.69 112.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.74 104.18 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.189 -0.3 . . . . 1.79 110.189 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -78.03 -176.57 4.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.659 -0.497 . . . . 2.07 109.659 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.8 t -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.782 0.325 . . . . 1.87 110.886 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.49 -43.39 73.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.243 -0.435 . . . . 2.68 110.942 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.28 -44.38 95.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.317 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 tp -60.12 -44.04 95.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.07 110.556 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.38 86.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.13 0.49 . . . . 1.29 110.613 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -64.16 -41.97 96.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 1.24 110.436 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.43 -49.45 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 1.18 110.785 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 48' ' ' LEU . 65.9 mt -58.54 -49.06 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.35 111.112 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.7 m -57.99 -40.22 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 1.66 111.318 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' O ' HG21 ' A' ' 58' ' ' VAL . 20.9 m-80 -72.84 -42.55 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.429 -0.351 . . . . 1.65 111.007 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.26 -40.69 96.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 1.79 110.574 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.06 -43.4 82.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.45 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.36 73.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 1.38 111.349 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 54' ' ' ASN . 74.6 t -58.66 -49.23 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 1.33 110.746 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' HH ' HG13 ' A' ' 10' ' ' VAL . 86.4 m-85 -82.79 -38.51 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.976 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.15 38.7 95.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.772 -0.728 . . . . 1.23 112.016 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 t -156.82 -177.62 6.75 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.005 -0.369 . . . . 2.22 110.005 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.2 109.73 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.456 0 O-C-N 124.391 1.057 . . . . 4.01 111.645 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.1 115.45 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.266 1.978 . . . . 4.49 110.12 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.52 10.87 5.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.125 0.488 . . . . 4.63 111.123 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.08 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 5.26 111.004 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.6 -40.83 17.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.358 -0.383 . . . . 5.89 111.133 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.76 26.93 6.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.371 . . . . 3.11 111.065 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.0 p -70.03 -15.25 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 3.8 111.152 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.46 98.74 0.37 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.157 -0.474 . . . . 2.22 110.79 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.4 -21.18 26.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 1.94 110.731 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -66.63 -25.66 66.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 2.04 111.28 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -86.79 -9.85 54.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.231 -0.44 . . . . 2.4 110.345 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 mm -97.09 89.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.791 -0.448 . . . . 1.26 109.791 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.97 -42.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.18 -0.464 . . . . 1.5 110.547 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 p -107.36 159.64 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.14 -0.482 . . . . 1.33 110.845 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 98.8 t -54.28 -43.0 59.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.894 0.378 . . . . 1.35 110.617 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.0 58.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.446 -0.797 . . . . 1.18 112.085 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.12 -50.96 71.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.438 . . . . 2.04 110.768 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.1 -37.17 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 1.19 110.607 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.78 71.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.516 . . . . 1.09 111.348 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -68.11 -19.24 64.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.536 -0.302 . . . . 4.78 111.167 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.12 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 1.29 110.528 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -84.77 -22.29 29.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 1.31 111.084 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -8.24 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 1.17 110.674 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.32 -35.14 75.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.554 -0.748 . . . . 3.47 110.497 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -76.31 146.22 39.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 4.22 109.819 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.33 5.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.956 -0.64 . . . . 2.96 111.57 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.33 140.8 85.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.719 -0.24 . . . . 4.03 110.503 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.15 109.37 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.345 2.03 . . . . 5.49 111.663 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.3 -178.15 27.49 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.747 -0.66 . . . . 6.5 112.123 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.41 119.85 7.0 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.751 2.301 . . . . 8.95 112.302 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 p -100.36 126.65 35.33 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.925 -0.579 . . . . 9.92 110.4 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.75 -33.9 51.94 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.417 2.745 . . . . 11.69 113.23 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.03 116.3 51.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 12.71 110.573 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.77 -8.49 13.4 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.897 2.398 . . . . 14.26 113.498 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.54 -51.36 7.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.599 -0.519 . . . . 16.8 109.599 -175.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.7 -15.83 61.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.243 0.544 . . . . 13.85 109.824 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.06 58.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 14.0 110.445 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -82.12 -49.12 10.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.264 0.554 . . . . 17.29 109.594 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.5 mt -86.84 71.63 10.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.516 -0.765 . . . . 17.43 109.9 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.03 -28.84 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.934 -0.576 . . . . 16.96 111.094 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -98.41 -10.79 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 18.98 110.653 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.2 tp -136.73 52.36 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 19.61 110.646 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.87 145.09 55.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 20.5 110.221 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.48 102.43 11.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.718 0.77 . . . . 23.01 110.307 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.413 -0.812 . . . . 22.66 110.071 -178.06 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.911 -0.476 . . . . 5.69 111.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -105.5 137.24 36.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.559 0.218 . . . . 5.26 110.613 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.638 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 9.1 m-20 -82.49 119.18 74.18 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.371 -0.603 . . . . 3.49 109.371 175.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.43 -30.84 75.22 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.849 2.366 . . . . 3.09 112.351 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -69.82 -49.13 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 5.53 110.867 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.638 ' OG1' ' HB2' ' A' ' -2' ' ' ASP . 27.5 p -73.51 -34.19 65.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.758 0.313 . . . . 3.1 110.642 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.8 -39.41 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 2.93 110.413 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -60.14 -36.73 78.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 2.92 110.113 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 3.62 110.854 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.19 -50.2 66.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 3.04 110.569 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.58 -28.94 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.944 0.402 . . . . 2.07 110.223 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.6 tpt -71.78 -39.71 69.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.02 -0.536 . . . . 1.33 109.841 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -36.72 82.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.707 -0.679 . . . . 1.36 110.276 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.87 -49.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 3.26 111.648 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.51 -34.73 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.816 -0.354 . . . . 2.02 110.393 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HA ' HG21 ' A' ' 14' ' ' VAL . 92.3 t80 -65.96 -41.51 91.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.77 110.056 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.86 -38.57 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.55 110.576 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -66.25 -53.95 30.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.98 110.661 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -66.11 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.638 -0.255 . . . . 1.69 111.003 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.04 -50.92 71.78 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.228 0.537 . . . . 1.09 109.885 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.47 -37.99 88.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.535 -0.757 . . . . 2.67 110.439 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.7 tp60 -61.78 -45.61 93.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 1.77 110.363 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.8 mt -62.1 -43.06 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.525 . . . . 1.19 110.365 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.65 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.19 111.049 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.93 -41.68 99.55 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.386 -0.37 . . . . 2.84 110.774 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 65.0 t -65.26 -44.96 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 1.28 110.437 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 89.9 mt -59.92 -44.12 94.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 2.34 110.416 177.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.57 -37.29 94.53 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.94 112.188 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.83 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 1.47 110.958 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -74.65 -14.97 60.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 3.69 110.855 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.46 23.04 74.41 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 1.23 111.877 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.19 171.26 28.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.826 -0.702 . . . . 1.27 111.95 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.09 143.19 43.86 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.819 2.346 . . . . 1.94 111.795 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.3 109.32 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.268 -0.424 . . . . 3.02 110.07 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.81 172.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.886 -0.597 . . . . 1.88 110.831 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.42 106.34 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.352 -0.385 . . . . 1.51 110.812 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.16 115.11 42.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.39 0.614 . . . . 2.04 110.651 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' H ' ' HB2' ' A' ' 36' ' ' SER . 46.1 mt-10 -113.73 173.08 6.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.83 -0.623 . . . . 2.05 110.294 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.09 -41.01 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.871 0.323 . . . . 1.28 111.871 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.41 33.86 3.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.458 0.647 . . . . 2.28 109.927 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 75' ' ' THR . 7.4 t -89.96 159.81 16.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.097 -0.501 . . . . 1.53 110.257 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' O ' HD11 ' A' ' 41' ' ' LEU . 60.9 mtm180 -106.99 126.12 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 3.63 110.91 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 83.9 m-85 -54.39 -36.02 63.48 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.497 -0.774 . . . . 0.66 111.185 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -56.21 -45.3 79.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 2.06 111.234 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.12 -31.13 62.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 2.2 110.715 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 37' ' ' ARG . 8.0 mp -68.24 -19.77 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.641 . . . . 2.05 111.254 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 -7.57 21.39 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.679 -0.772 . . . . 0.69 111.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.57 99.48 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.919 0.39 . . . . 1.79 109.957 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -85.69 -170.68 3.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.387 -0.597 . . . . 2.07 109.387 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -54.82 -48.79 72.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.991 0.367 . . . . 1.87 111.991 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.88 -41.71 82.37 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.005 0.431 . . . . 2.68 110.962 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -42.42 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 1.11 109.95 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' O ' HG12 ' A' ' 52' ' ' ILE . 59.8 tp -62.56 -48.32 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.53 -0.759 . . . . 2.07 110.652 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.94 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 1.29 110.78 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.0 m -68.52 -42.94 77.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.837 -0.62 . . . . 1.24 110.399 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 1.18 110.67 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 48' ' ' LEU . 46.2 mm -59.26 -48.54 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 1.35 109.985 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -59.02 -36.48 75.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 1.66 110.942 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.65 110.789 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.03 -36.74 72.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 1.79 110.64 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -56.84 -43.07 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.916 -0.584 . . . . 1.81 109.882 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.68 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.978 -0.556 . . . . 1.38 111.651 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -74.76 -40.84 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 1.33 111.174 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.36 -48.96 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.971 0.36 . . . . 1.39 111.971 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.31 -10.36 71.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.935 -0.65 . . . . 1.23 111.642 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -115.6 124.24 50.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.622 -0.289 . . . . 2.22 110.829 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -157.83 93.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.29 -0.414 . . . . 4.01 110.604 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -93.71 116.6 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.21 2.607 . . . . 4.49 112.431 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.609 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 54.1 m-85 -73.81 5.01 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 4.63 111.449 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.11 93.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.091 0.472 . . . . 5.26 109.783 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.77 -30.48 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 5.89 110.792 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.25 15.57 1.17 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.251 0.548 . . . . 3.11 111.519 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.9 p -77.21 -16.12 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.3 0.572 . . . . 3.8 110.09 176.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.31 65.13 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.939 -0.573 . . . . 2.22 111.285 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.06 -31.82 49.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 1.94 110.15 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -60.11 -31.41 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.707 -0.679 . . . . 2.04 111.062 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -78.24 -17.67 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.4 110.398 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.58 87.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.374 0.607 . . . . 1.26 109.832 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 58.9 t -128.87 -45.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.838 -0.801 . . . . 1.5 108.838 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' SER . 21.8 m -83.15 134.76 34.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.168 -0.924 . . . . 1.33 109.111 173.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 t -58.09 -36.27 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.982 -0.554 . . . . 1.35 111.356 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -30.96 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 1.18 111.814 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.25 -47.4 73.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.095 0.474 . . . . 2.04 109.818 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.66 -42.53 95.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 1.19 110.421 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.24 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.646 -0.706 . . . . 1.09 110.588 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.77 -39.71 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 4.78 110.774 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.01 86.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 1.29 111.677 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -90.56 -10.2 44.32 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.907 -0.317 . . . . 1.31 111.745 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.08 -23.74 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.685 0.279 . . . . 1.17 110.957 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.4 12.62 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 3.47 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.5 161.08 19.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.372 -0.376 . . . . 4.22 110.082 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.03 38.28 23.18 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.682 -0.771 . . . . 2.96 111.608 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 m -68.52 137.73 91.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.647 0.26 . . . . 4.03 111.479 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.57 109.2 1.78 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.619 2.212 . . . . 5.49 111.125 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.01 168.72 28.93 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.679 -0.772 . . . . 6.5 112.428 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.1 144.2 51.51 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.835 2.357 . . . . 8.95 111.445 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 t -77.59 119.71 78.51 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 109.959 -0.385 . . . . 9.92 109.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.18 -6.62 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.559 2.172 . . . . 11.69 112.369 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -117.73 97.64 50.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.554 0.692 . . . . 12.71 110.591 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.25 -18.08 18.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.417 2.078 . . . . 14.26 113.095 -175.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.05 -51.11 50.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.738 0.304 . . . . 16.8 110.947 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.97 -26.76 61.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 13.85 110.506 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.82 61.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 14.0 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 17.29 111.693 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 56.3 42.23 28.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.674 -0.694 . . . . 17.43 111.582 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -69.74 -29.97 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.291 0.567 . . . . 16.96 110.336 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.91 -22.18 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.376 -0.829 . . . . 18.98 110.637 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -108.35 5.66 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 19.61 110.762 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -87.18 -37.44 17.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.442 0.639 . . . . 20.5 109.991 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -137.05 148.56 46.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.159 -0.928 . . . . 23.01 109.933 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.737 -0.649 . . . . 22.66 109.937 179.03 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.862 -0.495 . . . . 5.69 111.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.7 85.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.042 0.449 . . . . 5.26 110.622 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.553 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 13.7 m-20 -71.55 152.7 93.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.937 -0.574 . . . . 3.49 110.133 175.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.19 -60.24 0.93 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.166 2.577 . . . . 3.09 113.21 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.409 . . . . 5.53 110.652 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' -2' ' ' ASP . 27.5 m -63.84 -39.77 95.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.153 -0.476 . . . . 3.1 110.869 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.46 -41.34 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 2.93 110.241 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.78 -45.76 92.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.732 -0.667 . . . . 2.92 110.375 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -66.16 -40.83 90.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 3.62 110.573 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.35 -50.52 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.475 . . . . 3.04 110.953 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.2 p -67.43 -36.64 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.885 -0.326 . . . . 2.07 110.597 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.86 -42.45 90.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.787 0.327 . . . . 1.33 110.368 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.17 -41.56 99.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.36 110.01 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -60.51 -44.32 96.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 3.26 110.504 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.5 t -62.8 -51.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.932 -0.577 . . . . 2.02 110.7 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.02 -36.17 80.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.77 110.581 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.61 -43.89 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.082 0.468 . . . . 0.55 110.418 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 51.8 tp60 -70.91 -40.52 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 1.98 110.545 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 10' ' ' VAL . 99.8 t -61.26 -46.2 97.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.933 -0.395 . . . . 1.69 109.933 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.63 -44.78 69.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.742 -0.663 . . . . 1.09 110.5 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.51 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 56.9 t-80 -59.79 -40.8 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 2.67 110.889 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 9.3 mm100 -73.08 -34.32 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 1.77 110.623 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.2 mt -65.59 -42.16 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.853 -0.425 . . . . 1.19 109.853 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.88 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 1.19 110.575 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 15.2 mm-40 -54.96 -47.38 74.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.993 -0.549 . . . . 2.84 110.42 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 61.0 t -60.34 -63.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.637 . . . . 1.28 110.988 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.04 -41.46 87.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.504 -0.316 . . . . 2.34 111.325 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -48.06 79.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.952 -0.642 . . . . 0.94 112.659 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -19.81 61.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.733 0.272 . . . . 1.47 111.733 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 31.5 mmmt -76.67 -22.03 54.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.907 0.384 . . . . 3.69 110.82 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.96 18.62 77.81 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.847 -0.615 . . . . 1.23 112.035 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.18 -153.79 30.52 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.849 -0.691 . . . . 1.27 112.479 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.65 131.17 12.21 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.664 2.242 . . . . 1.94 112.029 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.07 109.97 19.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 3.02 110.542 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.91 162.23 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 1.88 110.915 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.98 114.54 26.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 1.51 110.364 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.14 125.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 2.04 111.144 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -116.65 175.45 5.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.673 -0.694 . . . . 2.05 109.833 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.97 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.936 -0.305 . . . . 1.28 111.387 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -96.44 19.21 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.776 0.287 . . . . 2.28 111.776 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -70.73 129.29 38.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.043 0.449 . . . . 1.53 111.261 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -81.26 128.39 33.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.494 -0.775 . . . . 3.63 109.098 175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -57.93 -32.85 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.66 111.81 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 p -64.22 -43.22 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.6 . . . . 2.06 110.784 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.48 -22.4 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.41 -0.814 . . . . 2.2 110.47 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -78.39 -21.08 49.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.589 . . . . 2.05 110.691 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.74 13.65 15.88 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.585 -0.817 . . . . 0.69 113.074 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.42 115.0 26.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.831 0.348 . . . . 1.79 110.121 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -77.89 175.36 10.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 2.07 109.635 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -54.99 -50.77 68.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.819 0.343 . . . . 1.87 110.915 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.52 -35.5 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 2.68 110.993 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.42 -41.68 88.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.11 110.433 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.3 tp -63.25 -45.17 92.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 2.07 110.014 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.19 87.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.29 110.907 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.2 m -65.42 -42.25 92.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 1.24 110.075 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.3 tp -58.71 -38.89 79.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 1.18 110.575 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 48' ' ' LEU . 50.8 mm -58.89 -42.95 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 1.35 110.379 177.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 t -65.51 -41.76 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 1.66 110.55 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.52 -31.71 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 1.65 111.053 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.9 -32.37 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 1.79 110.074 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.49 -38.0 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 1.81 110.283 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.76 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 1.38 111.68 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.9 -55.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.339 -0.391 . . . . 1.33 110.78 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -89.57 -20.1 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.952 0.353 . . . . 1.39 111.952 -174.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.46 25.5 75.18 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 116.132 -0.486 . . . . 1.23 112.852 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -131.82 145.14 51.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 2.22 111.616 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -150.09 84.32 5.84 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-O 121.628 0.728 . . . . 4.01 111.162 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -93.25 115.2 0.28 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.717 2.278 . . . . 4.49 111.666 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -105.42 10.84 33.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.604 -0.271 . . . . 4.63 111.623 -175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.88 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.946 0.403 . . . . 5.26 110.078 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -91.98 -19.07 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 5.89 110.782 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.74 28.94 7.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 3.11 111.667 -175.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.65 -34.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 3.8 111.215 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -105.7 99.64 9.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.92 0.391 . . . . 2.22 110.436 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.27 -21.94 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.323 0.582 . . . . 1.94 110.388 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -71.3 -12.82 61.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 2.04 111.509 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -80.5 -11.32 59.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.346 . . . . 2.4 110.833 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.2 mm -83.98 91.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.492 -0.559 . . . . 1.26 109.492 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.55 -52.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.199 -0.455 . . . . 1.5 110.577 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -103.47 160.23 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.231 -0.44 . . . . 1.33 110.844 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.4 -31.39 53.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.045 0.45 . . . . 1.35 110.088 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.52 -48.03 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 1.18 112.006 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.045 0.45 . . . . 2.04 110.793 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.84 -40.33 72.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 1.19 110.579 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.53 98.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 1.09 110.765 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 52.8 mtp180 -57.15 -41.49 79.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.156 -0.475 . . . . 4.78 110.933 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.21 82.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 1.29 111.131 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -81.45 -9.39 59.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 1.31 111.818 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.492 ' HA ' HG22 ' A' ' 10' ' ' VAL . . . -78.2 -37.92 44.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.911 0.386 . . . . 1.17 110.472 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -75.57 -28.03 58.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.075 -0.511 . . . . 3.47 110.094 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -73.22 161.33 30.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 4.22 110.677 177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.99 28.48 3.62 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.836 -0.697 . . . . 2.96 111.604 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.26 133.96 29.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 4.03 110.731 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.36 109.69 0.68 Allowed 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 123.01 2.473 . . . . 5.49 111.988 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.12 2.15 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.773 -0.649 . . . . 6.5 111.703 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.97 121.49 10.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.448 2.098 . . . . 8.95 111.816 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 p -77.75 118.92 75.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.178 -0.464 . . . . 9.92 110.861 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.63 -33.87 53.84 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.69 2.26 . . . . 11.69 110.933 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 t70 65.82 113.89 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.272 0 O-C-N 124.17 0.919 . . . . 12.71 111.168 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 39.8 Cg_endo -66.76 -15.01 46.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.731 2.287 . . . . 14.26 113.099 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.4 mt -87.82 -41.17 13.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.499 -0.556 . . . . 16.8 109.499 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.59 -38.93 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 13.85 110.575 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.49 -1.03 16.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.753 -0.658 . . . . 14.0 112.103 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 95' ' ' PRO . 28.2 mt-30 -84.39 7.18 20.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.631 0.234 . . . . 17.29 111.631 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.8 125.74 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.998 0.428 . . . . 17.43 110.092 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 105' ' ' GLN . 10.0 tpp180 -96.25 -2.16 46.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.204 0.526 . . . . 16.96 109.963 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -54.48 -39.21 67.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.299 -0.864 . . . . 18.98 110.241 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -102.02 123.48 45.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.814 . . . . 19.61 109.76 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 65.48 71.64 0.43 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.168 0.509 . . . . 20.5 110.904 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.51 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 16.4 pt20 -104.29 -14.92 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 23.01 111.05 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.52 -0.753 . . . . 22.66 110.244 -177.457 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.542 -0.623 . . . . 5.69 111.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.2 36.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.62 0.724 . . . . 5.26 110.313 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -73.36 114.75 34.44 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.797 -1.092 . . . . 3.49 110.946 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.65 -17.05 38.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.535 2.157 . . . . 3.09 111.404 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -67.55 -16.74 64.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.152 -0.931 . . . . 5.53 111.064 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.1 p -59.4 -29.91 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 3.1 111.167 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.86 -36.6 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 2.93 110.863 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -63.6 -40.6 97.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 2.92 110.18 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -77.46 -37.54 51.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 3.62 110.235 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.22 -44.97 95.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 3.04 111.122 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.35 -33.76 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 2.07 110.789 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tpt -66.71 -43.87 83.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.355 0.598 . . . . 1.33 110.077 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.39 -29.99 67.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.714 -0.675 . . . . 1.36 110.488 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.35 -53.27 51.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.822 -0.627 . . . . 3.26 110.572 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.0 -30.82 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.407 -0.36 . . . . 2.02 110.78 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -64.87 -40.73 95.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.985 0.422 . . . . 0.77 110.236 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.33 -39.1 91.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.106 0.479 . . . . 0.55 110.277 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.54 -50.82 61.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 1.98 110.835 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.3 m -62.91 -33.31 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.098 0 C-N-CA 121.229 -0.188 . . . . 1.69 110.824 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.03 -49.99 75.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 1.09 109.888 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -63.03 -40.55 98.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.695 -0.684 . . . . 2.67 110.355 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' O ' HG21 ' A' ' 21' ' ' VAL . 16.2 mm100 -57.44 -53.45 57.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 1.77 110.658 176.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.1 mt -58.92 -44.17 90.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 1.19 110.71 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.93 93.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 1.19 111.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.09 -37.86 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.632 -0.258 . . . . 2.84 111.233 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 17' ' ' GLN . 73.3 t -62.0 -49.55 83.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.811 0.339 . . . . 1.28 110.573 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 2.34 110.43 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -42.75 97.24 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 116.019 -0.537 . . . . 0.94 112.586 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.095 0.474 . . . . 1.47 110.523 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -72.82 -24.59 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 3.69 110.529 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.06 24.34 55.23 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.242 -0.743 . . . . 1.23 111.242 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.56 176.92 40.27 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.14 -0.552 . . . . 1.27 112.611 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.86 124.51 12.38 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.02 2.48 . . . . 1.94 112.32 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.67 109.15 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.127 -0.488 . . . . 3.02 110.218 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.67 152.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 1.88 111.277 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 97.28 7.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 1.51 109.925 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.89 128.89 38.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.898 -0.592 . . . . 2.04 111.24 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -115.69 172.57 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.508 . . . . 2.05 110.181 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.884 0.374 . . . . 1.28 111.922 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -100.95 18.2 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.633 -0.258 . . . . 2.28 111.481 -173.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 m -78.56 141.0 38.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.765 0.317 . . . . 1.53 111.069 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 98.5 mtt180 -91.68 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 3.63 109.927 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -62.84 -28.65 70.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.66 111.933 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -59.98 -45.68 91.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 2.06 110.712 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.3 -10.92 59.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.667 -0.697 . . . . 2.2 110.852 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 93.7 mt -88.02 -6.51 57.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.118 -0.492 . . . . 2.05 110.868 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.26 37.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.619 -0.801 . . . . 0.69 112.961 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -96.89 127.55 42.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.059 -0.349 . . . . 1.79 110.059 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -93.14 -173.27 3.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.127 -0.323 . . . . 2.07 110.127 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -54.46 -51.29 65.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.053 0.39 . . . . 1.87 112.053 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.61 -39.71 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.528 0.204 . . . . 2.68 110.744 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -59.92 -42.5 94.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.11 110.447 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.34 -50.47 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 2.07 109.896 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.65 97.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 1.29 110.809 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.7 m -62.73 -39.78 95.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 1.24 110.621 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.88 -44.16 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.18 110.398 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.33 -43.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.516 . . . . 1.35 110.096 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -56.08 -41.74 75.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 1.66 110.563 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.4 m-20 -68.46 -38.09 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.65 110.926 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD23 ' CE1' ' A' ' 83' ' ' TYR . 31.2 tp -71.19 -35.68 71.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 1.79 110.681 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.04 -34.9 74.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 1.81 110.35 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.56 60.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 1.38 111.267 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.9 t -76.65 -50.98 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 1.33 110.992 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -87.0 -37.2 17.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.96 0.356 . . . . 1.39 111.96 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.54 -15.4 41.29 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.243 -0.743 . . . . 1.23 111.243 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.8 p -110.4 121.59 45.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.438 . . . . 2.22 110.429 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -148.3 130.73 7.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 4.01 111.024 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -88.34 113.66 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.432 2.088 . . . . 4.49 111.812 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.17 -16.52 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 4.63 111.938 -175.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.36 63.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.476 0.655 . . . . 5.26 109.651 176.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.44 -12.75 27.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.15 -0.932 . . . . 5.89 110.405 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.65 28.66 8.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.978 -0.555 . . . . 3.11 111.167 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.87 -44.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 3.8 110.109 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.21 108.69 21.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.813 -0.631 . . . . 2.22 109.893 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.7 tp -64.01 -25.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.94 110.972 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -75.1 1.78 12.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.154 -0.476 . . . . 2.04 111.572 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -76.3 -26.42 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 2.4 110.334 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mm -83.59 93.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.934 -0.575 . . . . 1.26 110.02 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.09 -53.34 7.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 1.5 110.511 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.8 p -107.5 168.06 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 1.33 111.142 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.03 -39.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.977 0.418 . . . . 1.35 110.188 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.2 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.564 -0.744 . . . . 1.18 111.645 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.32 -41.85 89.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 2.04 110.866 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.56 -43.22 49.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 1.19 110.347 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.67 98.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 1.09 111.05 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -56.51 -39.15 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 4.78 111.462 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 1.29 111.421 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 55' ' ' LEU . 96.5 m-85 -90.35 -12.16 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.33 -0.395 . . . . 1.31 111.256 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.57 -39.46 37.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 1.17 110.044 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -96.12 19.23 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 3.47 110.831 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -66.16 146.9 54.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.827 0.346 . . . . 4.22 110.107 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.3 -4.35 37.9 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.308 -0.717 . . . . 2.96 111.308 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.23 131.68 95.11 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 120.845 0.355 . . . . 4.03 110.53 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.63 108.8 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.806 2.337 . . . . 5.49 111.856 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.43 81.92 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.761 -0.654 . . . . 6.5 111.771 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.56 149.91 39.63 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.529 2.153 . . . . 8.95 111.725 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 m -74.64 123.49 89.09 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.321 -0.4 . . . . 9.92 109.973 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -62.01 -25.82 78.03 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.808 2.339 . . . . 11.69 112.404 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -83.43 122.4 77.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.426 . . . . 12.71 110.122 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.28 -15.99 35.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.358 2.039 . . . . 14.26 111.764 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.05 -20.2 45.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.465 -0.788 . . . . 16.8 110.529 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.65 -59.21 5.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.932 -0.576 . . . . 13.85 111.106 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.14 -19.19 47.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.342 -0.39 . . . . 14.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.35 -39.97 94.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 17.29 110.877 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.04 -18.94 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.889 0.376 . . . . 17.43 111.258 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -94.39 -7.86 40.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.134 0.493 . . . . 16.96 110.16 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -98.82 -36.28 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.643 . . . . 18.98 109.485 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.22 128.4 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.596 -0.729 . . . . 19.61 110.35 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.42 39.38 0.97 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.119 0.485 . . . . 20.5 109.891 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -115.66 5.88 14.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 23.01 110.786 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.702 -0.666 . . . . 22.66 109.974 -178.435 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.92 -0.472 . . . . 5.69 111.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.0 pt -99.83 124.66 53.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 5.26 110.692 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.37 157.61 89.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.788 -0.642 . . . . 3.49 109.739 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.0 -42.38 15.77 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.899 2.399 . . . . 3.09 112.286 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -55.9 -54.05 49.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 5.53 111.23 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 1.2 p -78.41 -21.33 49.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 3.1 111.426 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.33 -41.46 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.421 . . . . 2.93 110.653 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 7' ' ' MET . 50.2 m-80 -69.74 -25.86 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 2.92 110.432 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -79.6 -33.64 41.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 3.62 110.244 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 1' ' ' THR . 87.0 mm-40 -63.32 -53.19 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 3.04 110.732 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 12.0 p -65.78 -27.39 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 2.07 110.484 178.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 12.4 tpt -74.21 -34.19 63.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 1.33 110.46 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.74 -29.14 58.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.52 . . . . 1.36 109.705 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 41.3 tt0 -58.41 -56.87 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.499 -0.773 . . . . 3.26 110.411 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -31.19 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.19 -0.459 . . . . 2.02 110.626 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.3 . . . . 0.77 110.811 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.35 -36.93 81.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 0.55 109.982 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 61.2 tp60 -62.45 -55.15 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 1.98 110.793 177.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.3 m -67.8 -33.62 62.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.612 -0.267 . . . . 1.69 111.355 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.14 -46.99 87.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.922 0.392 . . . . 1.09 110.096 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -62.7 -39.2 93.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.769 -0.65 . . . . 2.67 110.199 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' HG21 ' A' ' 21' ' ' VAL . 88.2 mm-40 -66.54 -44.73 81.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.77 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 14' ' ' VAL . 82.6 mt -62.49 -46.39 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 1.19 110.416 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.21 -32.84 73.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 1.19 110.84 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -68.05 -48.97 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 2.84 110.543 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 17' ' ' GLN . 87.5 t -58.19 -47.59 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 1.28 110.799 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.26 -44.56 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 2.34 110.772 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -38.1 89.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.158 -0.544 . . . . 0.94 112.647 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.33 77.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.043 0.449 . . . . 1.47 110.715 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.83 -40.51 63.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.011 -0.54 . . . . 3.69 109.773 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 15.75 7.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.919 -0.658 . . . . 1.23 112.412 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.04 172.91 29.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.87 -0.681 . . . . 1.27 112.067 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.04 146.55 41.6 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.615 2.21 . . . . 1.94 111.74 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.46 107.97 9.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.1 0.476 . . . . 3.02 109.988 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -79.49 150.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.56 -0.745 . . . . 1.88 110.126 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.94 108.16 3.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 1.51 110.214 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.49 119.8 26.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.032 -0.531 . . . . 2.04 110.654 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 31.3 mt-10 -120.38 145.37 47.24 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.858 -0.793 . . . . 2.05 108.858 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -71.87 -24.0 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 1.28 111.694 -171.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -98.85 5.75 47.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.575 . . . . 2.28 110.153 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 34.3 t -83.94 160.95 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.012 -0.54 . . . . 1.53 110.181 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 37' ' ' ARG . 46.9 mtm180 -103.55 140.76 37.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.006 -0.543 . . . . 3.63 110.111 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 96.3 m-85 -61.53 -41.54 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.66 111.283 -176.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 21.0 t -69.66 -22.2 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.263 -0.426 . . . . 2.06 110.415 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.7 -33.99 34.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.103 0.478 . . . . 2.2 110.181 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.58 -18.66 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.664 -0.698 . . . . 2.05 111.07 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.98 3.8 17.33 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.631 -0.795 . . . . 0.69 112.661 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.0 mm? -87.04 115.2 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.31 -0.626 . . . . 1.79 109.31 176.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 t -76.49 -177.91 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.925 -0.398 . . . . 2.07 109.925 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -52.38 -51.23 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.393 -0.367 . . . . 1.87 111.551 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.66 -41.71 87.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 2.68 110.625 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -59.54 -41.28 89.71 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.978 -0.555 . . . . 1.11 110.509 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.8 tt -59.63 -49.08 79.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.762 -0.653 . . . . 2.07 109.881 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 1.29 111.239 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.2 m -65.8 -38.63 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 1.24 110.653 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . 66.0 tp -62.03 -40.0 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 1.18 110.282 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 48' ' ' LEU . 60.1 mt -58.94 -45.96 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 1.35 110.099 175.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 t -64.85 -22.79 67.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 1.66 111.009 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.2 m-20 -67.38 -47.01 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.189 -0.301 . . . . 1.65 110.189 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.14 -34.04 76.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.345 . . . . 1.79 110.249 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.04 -49.2 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.759 -0.655 . . . . 1.81 110.366 172.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 1.38 111.337 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.1 t -60.04 -56.84 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.33 111.417 -179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 83' ' ' TYR . 94.5 m-85 -80.39 -15.04 57.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 1.39 111.631 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.47 24.48 69.37 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.872 -0.891 . . . . 1.23 110.872 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 3.1 m -147.69 142.3 26.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.959 -0.62 . . . . 2.22 109.61 -173.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 61' ' ' THR . 29.9 t70 169.32 104.6 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 124.218 0.949 . . . . 4.01 110.635 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -89.18 115.79 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.019 2.479 . . . . 4.49 110.475 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.84 -2.71 24.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.063 0.459 . . . . 4.63 110.906 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 5.26 110.006 172.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -84.16 -35.77 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 5.89 110.56 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.61 28.71 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 3.11 110.648 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.35 -24.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.668 -0.696 . . . . 3.8 111.138 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.11 91.54 3.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.927 0.394 . . . . 2.22 110.731 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tp -63.42 -30.7 50.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.91 -0.586 . . . . 1.94 110.862 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 p -68.23 -16.72 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.049 -0.523 . . . . 2.04 111.976 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -79.17 -15.38 58.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 2.4 111.1 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.04 89.67 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.142 0.496 . . . . 1.26 109.697 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.0 -60.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 1.5 110.794 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -111.27 170.62 7.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.227 -0.442 . . . . 1.33 111.522 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 t -61.36 -40.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.576 -0.284 . . . . 1.35 110.859 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.44 56.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 1.18 112.209 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.06 -53.82 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 2.04 110.387 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.7 tp -69.77 -33.43 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.681 -0.691 . . . . 1.19 110.751 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.4 -51.89 65.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 1.09 111.004 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -62.27 -32.74 73.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.854 0.359 . . . . 4.78 110.719 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.98 15.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 1.29 111.042 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.472 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 38.5 m-85 -79.58 -9.53 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.097 0.406 . . . . 1.31 112.097 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.56 61.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 1.17 110.236 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -105.67 -24.53 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.958 -0.564 . . . . 3.47 111.246 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -90.26 122.69 33.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.805 0.336 . . . . 4.22 111.302 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.26 12.96 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.728 -0.749 . . . . 2.96 112.541 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.91 121.62 2.97 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.464 0.649 . . . . 4.03 111.649 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.19 108.44 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.096 2.531 . . . . 5.49 111.573 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.83 -148.5 6.31 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.643 -0.789 . . . . 6.5 111.684 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.23 129.6 32.31 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.559 2.173 . . . . 8.95 111.56 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.1 m -86.33 129.05 54.93 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 110.086 -0.338 . . . . 9.92 110.086 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.09 -13.93 39.45 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.695 2.263 . . . . 11.69 112.382 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 96' ' ' LEU . 11.8 t70 -149.06 124.99 5.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 12.71 109.748 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.02 -22.23 55.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.901 2.401 . . . . 14.26 113.541 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 7.1 mp -77.68 -44.52 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.553 -0.536 . . . . 16.8 109.553 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -68.79 -23.82 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 13.85 110.401 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 14.0 110.3 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.98 -25.72 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 17.29 110.47 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 103' ' ' LEU . 95.5 mt -66.9 -19.93 65.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 17.43 110.67 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -82.51 -0.94 48.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 16.96 110.74 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.72 -18.17 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 18.98 110.546 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 100' ' ' LEU . 3.2 mm? -80.42 86.2 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 19.61 110.699 -178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -122.86 158.04 31.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.974 -0.38 . . . . 20.5 109.974 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 61.89 75.2 0.41 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.256 0.551 . . . . 23.01 110.329 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.524 -0.762 . . . . 22.66 110.148 -177.777 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.782 -0.527 . . . . 5.69 111.782 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 29.2 mt -86.49 63.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.65 0.738 . . . . 5.26 109.254 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.54 114.42 47.5 Favored Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 115.116 -0.947 . . . . 3.49 109.911 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.53 -27.51 76.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.934 2.423 . . . . 3.09 112.752 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -67.68 -54.83 16.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.587 -0.279 . . . . 5.53 110.995 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 15.1 t -67.02 -34.91 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.541 -0.464 . . . . 3.1 110.578 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.36 -40.5 96.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.915 0.388 . . . . 2.93 110.469 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.87 -41.84 97.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 2.92 110.047 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -64.66 -42.5 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 3.62 111.156 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 1' ' ' THR . 55.8 mt-30 -61.04 -47.5 86.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 3.04 111.349 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.68 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 2.07 110.418 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.8 tpt -69.92 -43.57 71.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 1.33 110.187 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.89 -28.58 69.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.174 0.511 . . . . 1.36 110.214 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.12 -50.42 48.21 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.803 -0.635 . . . . 3.26 110.681 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.46 -35.96 64.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 2.02 110.696 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.419 ' HA ' HG22 ' A' ' 14' ' ' VAL . 80.7 t80 -61.74 -42.01 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.77 110.143 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.99 -42.5 90.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.55 110.558 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.87 -48.24 59.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 1.98 111.152 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -63.89 -37.49 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.718 -0.393 . . . . 1.69 110.737 -178.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.53 -43.01 98.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.283 0.564 . . . . 1.09 109.606 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -57.45 -38.58 74.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.078 -0.964 . . . . 2.67 110.744 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.5 mm100 -72.34 -43.5 64.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.391 -0.368 . . . . 1.77 110.689 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 14' ' ' VAL . 88.6 mt -59.88 -44.29 93.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.353 -0.385 . . . . 1.19 110.561 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 1.19 111.204 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.29 -42.71 83.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 2.84 111.148 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.9 t -63.98 -48.32 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 1.28 110.685 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.71 -44.06 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 2.34 110.527 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.81 99.64 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.454 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -28.34 67.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 1.47 111.353 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -89.21 -12.71 40.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.297 . . . . 3.69 111.393 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.52 34.11 32.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.782 -0.723 . . . . 1.23 111.721 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 164.16 29.35 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.175 -0.536 . . . . 1.27 112.017 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.82 144.47 24.53 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.642 2.228 . . . . 1.94 112.508 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 109.5 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.422 -0.585 . . . . 3.02 109.422 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.29 165.06 6.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.789 -0.641 . . . . 1.88 111.1 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.62 89.21 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.102 -0.499 . . . . 1.51 110.261 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.92 114.27 21.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.924 -0.58 . . . . 2.04 111.326 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -105.34 173.68 6.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 2.05 110.036 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.77 -36.39 77.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.838 0.351 . . . . 1.28 111.336 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -91.26 11.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.691 0.281 . . . . 2.28 111.566 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -80.12 133.0 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.988 0.423 . . . . 1.53 111.229 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 68.3 mtm180 -79.96 136.15 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 3.63 109.687 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.455 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 63.2 m-85 -60.78 -27.09 67.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.66 111.371 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -59.82 -45.44 92.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 2.06 110.951 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.516 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 31.3 m-20 -67.28 -36.53 81.76 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.91 0.386 . . . . 2.2 111.075 -175.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.27 -21.3 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 2.05 111.737 -174.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.02 31.94 3.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.401 -0.904 . . . . 0.69 112.64 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.0 mm? -113.79 123.56 50.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.763 -0.458 . . . . 1.79 109.763 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.4 p -99.8 -172.56 2.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.859 -0.423 . . . . 2.07 109.859 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -60.82 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 1.87 110.485 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.9 -38.89 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 2.68 110.583 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' HB3' HD13 ' A' ' 43' ' ' LEU . 15.6 m-20 -63.96 -44.59 92.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.11 109.887 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.3 -40.38 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.835 -0.62 . . . . 2.07 110.843 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.26 83.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 1.29 110.276 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -66.45 -42.76 87.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.298 -0.41 . . . . 1.24 110.563 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -58.22 -51.73 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 1.18 111.278 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -36.46 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.39 . . . . 1.35 110.791 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -62.04 -39.66 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.434 . . . . 1.66 110.471 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' O ' HG21 ' A' ' 58' ' ' VAL . 95.9 m-20 -65.49 -41.15 93.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 1.65 110.519 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 1.79 110.397 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' THR . 25.8 tt0 -57.08 -47.55 80.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.105 173.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -10.86 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 1.38 111.611 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 54' ' ' ASN . 88.9 t -80.48 -55.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.494 -0.321 . . . . 1.33 110.652 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -92.86 -26.81 17.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 1.39 111.978 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.91 13.24 72.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.836 -0.697 . . . . 1.23 111.482 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 5.4 p -90.24 -176.75 4.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.849 0.357 . . . . 2.22 111.307 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.05 134.8 28.04 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.081 0.467 . . . . 4.01 111.35 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.28 156.72 19.61 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.464 2.776 . . . . 4.49 112.939 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.648 ' CZ ' ' HB3' ' A' ' 82' ' ' ALA . 88.8 m-85 -88.63 5.67 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 4.63 111.816 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.478 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . . . -66.23 -43.1 87.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.082 0.468 . . . . 5.26 110.885 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -110.09 -21.62 12.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.599 . . . . 5.89 110.732 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.37 -69.56 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.809 -0.632 . . . . 3.11 111.862 -177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.25 -72.33 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.853 -0.339 . . . . 3.8 111.144 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.28 122.7 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.897 -0.592 . . . . 2.22 110.047 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 12.7 tt -79.37 -17.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.619 0.723 . . . . 1.94 109.725 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p -75.49 -13.85 60.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.285 -0.871 . . . . 2.04 110.854 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -85.57 -9.71 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 2.4 110.223 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm -83.49 89.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.654 -0.498 . . . . 1.26 109.654 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -88.11 -59.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.625 . . . . 1.5 110.772 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 p -110.68 170.11 8.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 1.33 111.015 -177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 1.35 109.67 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.34 62.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.276 -0.875 . . . . 1.18 111.728 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -60.04 -44.72 94.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 2.04 111.091 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.7 tp -76.56 -43.82 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 1.19 111.02 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.28 80.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 1.09 111.107 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -64.57 -38.37 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 4.78 110.323 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . . . -57.04 -53.97 51.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 1.29 110.975 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -74.08 -10.58 59.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.792 0.293 . . . . 1.31 111.792 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.49 31.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.187 0.517 . . . . 1.17 110.213 174.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -95.93 -3.88 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 3.47 110.779 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 17.0 mm100 -90.5 142.98 27.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.712 0.291 . . . . 4.22 110.32 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.72 4.89 89.52 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.022 -0.608 . . . . 2.96 112.718 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -84.46 147.73 50.47 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.723 -0.28 . . . . 4.03 110.518 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.49 121.97 9.32 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.603 2.202 . . . . 5.49 111.513 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.91 171.2 31.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.926 -0.655 . . . . 6.5 112.397 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 128.94 30.85 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.91 2.407 . . . . 8.95 112.167 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.9 m -70.0 124.18 90.19 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.847 -0.615 . . . . 9.92 111.306 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.08 -18.98 11.01 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.675 2.25 . . . . 11.69 112.078 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 4.8 p-10 -74.36 138.2 74.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 12.71 110.645 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 94' ' ' ASP . 19.9 Cg_exo -66.24 -8.21 19.71 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.088 2.525 . . . . 14.26 112.444 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.78 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.794 -0.447 . . . . 16.8 109.794 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 33.5 t70 -63.66 -48.19 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 13.85 110.426 175.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.29 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 14.0 110.583 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 57.8 tp60 -59.18 -47.63 84.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 17.29 110.376 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.21 -37.53 83.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 17.43 110.812 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 97' ' ' ASP . 73.3 mtt180 -62.52 -39.82 94.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 16.96 110.817 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -25.12 62.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 18.98 110.78 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 99' ' ' GLN . 84.9 mt -78.75 -6.48 55.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 19.61 110.819 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -80.66 105.49 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 20.5 109.92 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.84 -14.85 38.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.049 -0.523 . . . . 23.01 110.118 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.722 -0.656 . . . . 22.66 110.038 178.661 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.125 -0.39 . . . . 5.69 112.125 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 56.4 mt -93.57 89.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.111 0.481 . . . . 5.26 109.848 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.86 155.73 82.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.68 -0.691 . . . . 3.49 110.92 -177.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.26 -55.92 3.62 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.078 2.519 . . . . 3.09 113.374 -175.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.9 -42.32 99.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.661 0.267 . . . . 5.53 111.476 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.7 p -69.61 -28.24 65.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.754 0.311 . . . . 3.1 110.626 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.55 -40.55 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 2.93 110.002 174.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.84 -43.67 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 2.92 109.934 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -68.09 -33.77 75.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 3.62 110.481 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 58.1 tp60 -61.94 -57.36 12.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 3.04 110.834 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.43 -31.03 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 2.07 110.623 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.432 ' HA ' HG12 ' A' ' 10' ' ' VAL . 12.7 tpt -73.41 -36.91 66.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 1.33 110.765 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.68 -35.17 74.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.471 . . . . 1.36 109.753 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 15.7 mm100 -66.25 -48.97 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.714 . . . . 3.26 111.165 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 7' ' ' MET . 10.3 p -68.16 -34.73 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 110.374 -0.232 . . . . 2.02 110.374 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HA ' HG23 ' A' ' 14' ' ' VAL . 93.5 t80 -60.54 -43.62 96.99 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.006 0.431 . . . . 0.77 110.015 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -38.69 76.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.701 . . . . 0.55 110.798 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.2 tp-100 -72.65 -50.8 22.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 1.98 110.87 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 11' ' ' PHE . 31.1 m -65.08 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.633 -0.258 . . . . 1.69 110.83 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.27 -46.07 83.45 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.111 0.481 . . . . 1.09 109.991 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.524 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 20.5 t-80 -61.82 -39.87 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 2.67 110.083 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 63.4 mm-40 -65.91 -47.16 75.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.77 110.307 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.6 mt -59.87 -44.85 95.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.142 -0.481 . . . . 1.19 110.516 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.07 80.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 1.19 111.122 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 56.3 mt-30 -68.14 -40.84 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 2.84 110.78 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.1 t -64.08 -50.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 1.28 110.604 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.53 -42.62 96.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 2.34 110.507 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.51 -44.28 96.86 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.597 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.52 75.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.743 0.275 . . . . 1.47 111.743 -177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -78.83 -19.02 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 3.69 111.001 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.04 48.25 3.39 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.745 -0.74 . . . . 1.23 111.962 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.08 160.23 14.23 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.676 -0.57 . . . . 1.27 111.676 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.8 138.07 33.74 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.544 2.163 . . . . 1.94 112.436 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.1 109.58 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.882 -0.599 . . . . 3.02 109.48 177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 m -103.2 171.99 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.034 -0.53 . . . . 1.88 111.348 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.11 92.77 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 1.51 110.87 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.32 130.98 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 2.04 110.985 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -118.78 177.77 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 2.05 110.399 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.1 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.891 0.377 . . . . 1.28 111.092 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -103.78 32.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 2.28 110.909 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.8 m -88.79 138.67 31.21 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.088 -0.382 . . . . 1.53 110.156 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -90.85 135.66 33.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.072 0.463 . . . . 3.63 109.785 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 88.7 m-85 -58.64 -42.35 88.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.66 111.463 -175.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 37.7 m -61.33 -33.31 73.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.899 0.38 . . . . 2.06 110.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.07 -27.43 57.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 2.2 110.485 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.78 -7.69 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 2.05 111.057 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.33 21.33 15.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.69 111.861 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' SER . 42.9 mt -107.36 125.97 51.88 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.072 -0.344 . . . . 1.79 110.072 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.7 p -97.65 -172.93 2.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.858 -0.423 . . . . 2.07 109.858 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -35.46 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.061 0.458 . . . . 1.87 109.863 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.31 -44.74 90.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.766 -0.652 . . . . 2.68 110.037 177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.49 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.226 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.85 -43.34 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 2.07 110.777 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 1.29 110.632 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 m -71.34 -47.18 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.147 -0.479 . . . . 1.24 110.637 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.3 tp -58.35 -50.38 73.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 1.18 111.702 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.36 -43.11 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.549 -0.296 . . . . 1.35 110.812 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.2 m -68.24 -29.49 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.175 0.512 . . . . 1.66 110.776 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -71.49 -45.76 61.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 1.65 110.145 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -31.64 72.73 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 1.79 110.036 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -61.66 -32.15 72.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 1.81 110.714 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.96 -18.99 60.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.824 0.345 . . . . 1.38 110.712 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.52 -59.81 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 1.33 111.17 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -89.07 -50.13 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 1.39 111.477 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.08 14.16 80.99 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.845 -0.616 . . . . 1.23 113.239 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 23.2 p -135.57 115.58 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.863 0.332 . . . . 2.22 111.29 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 175.94 121.69 0.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 O-C-N 123.887 0.742 . . . . 4.01 110.48 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.72 114.74 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.194 1.929 . . . . 4.49 110.312 171.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -81.28 3.21 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.878 0.37 . . . . 4.63 111.496 -170.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.14 67.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 5.26 110.59 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -73.09 -40.65 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 5.89 110.431 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.67 28.61 3.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 3.11 111.165 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.69 -26.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.192 0.52 . . . . 3.8 109.957 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -105.87 108.11 19.45 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.723 -0.672 . . . . 2.22 109.275 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.64 -19.43 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 1.94 111.209 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 p -66.61 -13.83 61.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 2.04 112.024 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.9 p -79.47 -25.83 41.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.078 0.466 . . . . 2.4 110.234 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.81 89.37 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.376 -0.601 . . . . 1.26 109.376 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.88 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.012 -0.54 . . . . 1.5 111.209 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -106.42 165.82 10.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.091 -0.504 . . . . 1.33 111.039 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 81.5 t -54.87 -39.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.053 0.454 . . . . 1.35 110.269 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 81' ' ' ARG . . . -54.95 -36.63 65.52 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.341 -0.845 . . . . 1.18 111.789 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -65.69 -45.32 83.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 2.04 111.261 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.37 -42.72 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.921 0.391 . . . . 1.19 110.664 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 -34.9 78.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 1.09 110.965 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 45.0 ttm180 -56.06 -42.45 76.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.82 -0.627 . . . . 4.78 111.265 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.55 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.29 111.059 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -77.55 -19.22 56.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.127 -0.488 . . . . 1.31 111.303 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.31 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.17 110.836 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 29.8 mm-40 -79.99 -12.3 59.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 3.47 110.794 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mm-40 -85.25 161.02 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 4.22 110.252 178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.37 35.92 6.09 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.521 -0.847 . . . . 2.96 111.05 -175.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.9 m -120.84 143.69 37.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.55 -0.325 . . . . 4.03 110.414 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.26 109.61 2.84 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.562 2.175 . . . . 5.49 112.61 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.77 175.26 16.63 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.119 -0.793 . . . . 6.5 111.119 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 119.62 6.99 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.629 2.219 . . . . 8.95 112.003 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.3 m -60.01 124.32 76.53 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.446 -0.343 . . . . 9.92 110.81 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.66 -22.03 44.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.864 2.376 . . . . 11.69 112.169 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -116.64 108.64 44.64 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.089 -0.505 . . . . 12.71 109.921 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.71 -15.11 35.36 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.104 2.536 . . . . 14.26 112.414 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.55 -26.38 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.826 -0.624 . . . . 16.8 110.669 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.43 -58.97 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.85 110.645 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.85 -28.43 62.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 14.0 111.052 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -60.98 -47.52 86.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.993 -0.549 . . . . 17.29 110.324 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 tp -76.08 -28.66 57.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.947 -0.569 . . . . 17.43 110.348 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -57.62 -42.7 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.864 -0.607 . . . . 16.96 110.336 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.46 6.16 46.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 18.98 111.167 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 54.48 38.48 29.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.879 -0.601 . . . . 19.61 111.485 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -81.46 121.3 26.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 20.5 110.482 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -84.86 -2.36 57.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.043 -0.526 . . . . 23.01 110.797 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.249 1.062 0 O-C-N 123.867 0.73 . . . . 22.66 110.512 -177.561 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.894 -0.482 . . . . 5.69 111.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 55.9 mt -81.25 83.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.588 0.708 . . . . 5.26 109.922 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' -1' ' ' PRO . 45.0 m-20 -74.74 165.71 51.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 3.49 110.406 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' -2' ' ' ASP . 74.0 Cg_exo -43.94 -48.63 9.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.058 2.505 . . . . 3.09 113.487 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -67.03 -40.94 87.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 5.53 110.425 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 5.9 m -62.48 -45.99 90.51 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.1 -0.5 . . . . 3.1 110.432 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.69 -39.88 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.663 -0.699 . . . . 2.93 110.499 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.01 -44.24 87.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.817 -0.628 . . . . 2.92 110.209 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -68.21 -37.69 81.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 3.62 110.168 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 1' ' ' THR . 32.4 mm-40 -57.1 -50.59 72.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.846 0.355 . . . . 3.04 110.413 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.33 -43.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 2.07 110.879 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -42.31 78.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 1.33 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.07 -31.99 72.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.121 0.486 . . . . 1.36 110.071 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.15 -45.57 91.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.546 -0.752 . . . . 3.26 110.963 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.6 p -75.01 -42.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.641 -0.254 . . . . 2.02 110.625 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.25 -43.49 87.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.54 -0.3 . . . . 0.77 111.28 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.14 -42.67 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.55 111.168 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.1 tp60 -68.1 -40.72 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 1.98 110.183 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 10' ' ' VAL . 60.9 t -59.41 -51.81 68.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 1.69 110.48 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.22 -38.75 84.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.02 -0.536 . . . . 1.09 110.478 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -58.75 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 2.67 110.378 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.2 mm100 -69.9 -43.04 72.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 1.77 110.438 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 74.1 mt -58.8 -44.09 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.284 -0.416 . . . . 1.19 110.916 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.42 90.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.19 110.886 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.35 -41.18 96.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 2.84 110.153 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 17' ' ' GLN . 61.7 t -62.95 -48.19 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.28 110.624 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 95.0 mt -57.36 -45.64 84.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 2.34 110.964 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.92 78.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.109 -0.567 . . . . 0.94 112.748 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.85 -40.26 22.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.329 . . . . 1.47 110.767 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.76 -38.85 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 3.69 110.952 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 12.15 65.0 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.577 -0.738 . . . . 1.23 111.35 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.85 -179.28 52.9 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.28 -0.486 . . . . 1.27 112.515 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.04 141.3 63.45 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.942 2.428 . . . . 1.94 112.073 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.288 -0.634 . . . . 3.02 109.288 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.03 152.58 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.759 -0.655 . . . . 1.88 111.213 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.05 103.32 15.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 1.51 109.918 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -77.51 130.04 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 2.04 110.438 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.13 175.28 6.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.496 -0.557 . . . . 2.05 109.496 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.5 tp -79.99 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.459 -0.571 . . . . 1.28 109.459 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -98.53 -0.31 43.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 2.28 111.665 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.1 p -73.72 144.64 45.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 1.53 110.744 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -89.69 144.49 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 3.63 109.812 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.08 -38.64 88.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.772 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -66.94 -27.88 67.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 2.06 110.156 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.2 -37.67 66.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 2.2 109.698 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.06 -20.63 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.605 -0.725 . . . . 2.05 110.968 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 21.04 8.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.792 -0.718 . . . . 0.69 113.029 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -108.92 106.96 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 1.79 110.123 177.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -80.21 173.26 12.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.156 -0.475 . . . . 2.07 110.487 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -52.14 -47.17 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.506 0.558 . . . . 1.87 112.506 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.44 -43.49 98.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 2.68 111.042 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -77.98 -30.51 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.747 -0.381 . . . . 1.11 110.097 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.1 tt -62.89 -46.43 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.202 -0.666 . . . . 2.07 109.202 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.98 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.98 -0.555 . . . . 1.29 110.439 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.5 m -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.586 -0.734 . . . . 1.24 110.409 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.72 -48.65 80.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.651 . . . . 1.18 110.3 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 48' ' ' LEU . 59.5 mt -58.69 -46.05 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 1.35 110.68 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.3 t -61.8 -41.88 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.66 111.349 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -71.26 -41.03 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.488 -0.324 . . . . 1.65 111.087 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.73 -35.85 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.357 0.599 . . . . 1.79 110.133 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.83 -42.31 84.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.336 -0.847 . . . . 1.81 110.245 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.44 -12.71 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.834 -0.621 . . . . 1.38 111.484 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.3 t -76.35 -43.49 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.803 0.335 . . . . 1.33 110.133 176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -90.83 -34.28 15.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 1.39 111.685 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.29 33.5 28.58 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.39 -0.684 . . . . 1.23 111.39 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 p -93.58 -178.03 4.58 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.191 0.441 . . . . 2.22 112.191 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.59 135.92 81.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 4.01 110.768 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.26 125.39 10.76 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.764 2.309 . . . . 4.49 111.965 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -120.57 -1.8 10.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.539 -0.3 . . . . 4.63 111.187 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.62 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.086 0.402 . . . . 5.26 112.086 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -94.89 -40.57 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 5.89 110.25 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.76 85.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.584 -0.735 . . . . 3.11 111.667 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.9 t -90.04 -8.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.026 0.441 . . . . 3.8 110.32 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 66.99 131.76 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.298 -0.865 . . . . 2.22 111.942 -176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -62.56 -26.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -0.999 . . . . 1.94 112.008 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -73.72 -9.27 58.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.145 0.424 . . . . 2.04 112.145 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -84.98 -8.84 58.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.39 . . . . 2.4 110.911 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mm -97.65 99.19 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 1.26 110.21 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.93 -52.22 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.303 0.573 . . . . 1.5 110.465 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -100.47 153.29 19.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.691 -0.686 . . . . 1.33 110.953 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.26 -33.31 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 1.35 110.778 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.3 69.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.814 -0.63 . . . . 1.18 111.737 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 8.6 t70 -72.34 -45.39 60.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 2.04 110.367 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.51 -47.46 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 1.19 110.699 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.43 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.959 -0.564 . . . . 1.09 110.236 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 31.7 ttp85 -57.51 -51.11 70.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.56 . . . . 4.78 110.94 175.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.65 78.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.614 -0.721 . . . . 1.29 111.447 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -79.19 -29.26 42.82 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.663 0.246 . . . . 1.31 111.663 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.79 75.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 1.17 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 20.1 pt20 -83.4 -14.79 51.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 3.47 111.105 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -67.32 120.32 13.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 4.22 110.228 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.82 -29.58 7.7 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.009 -0.615 . . . . 2.96 111.765 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 p -118.44 131.16 24.37 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.058 0.456 . . . . 4.03 110.576 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.14 108.88 0.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.664 2.243 . . . . 5.49 111.631 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 140.71 24.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.764 -0.731 . . . . 6.5 112.117 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.38 139.11 69.42 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.532 2.155 . . . . 8.95 111.952 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.9 m -89.04 119.75 69.84 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.363 -0.38 . . . . 9.92 111.023 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -82.01 8.45 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.744 2.296 . . . . 11.69 111.431 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.59 134.15 22.41 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.412 -0.813 . . . . 12.71 110.034 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.55 -7.45 20.38 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.951 2.434 . . . . 14.26 113.908 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 42.7 tp -59.25 -48.34 81.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 16.8 110.799 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.09 -35.23 80.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.399 -0.364 . . . . 13.85 110.954 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.02 94.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 14.0 110.249 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 101' ' ' ARG . 30.0 tt0 -72.81 -23.95 60.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 17.29 110.784 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 83.5 mt -77.09 39.23 0.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.169 0.509 . . . . 17.43 111.428 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 99' ' ' GLN . 19.0 ptt180 -93.12 -21.45 19.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.64 . . . . 16.96 109.537 175.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.76 -36.41 11.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 18.98 110.348 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.2 mt 52.61 57.92 5.9 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.292 0.568 . . . . 19.61 111.01 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -90.8 -13.22 34.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.443 -0.799 . . . . 20.5 110.546 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -88.95 5.36 44.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 23.01 110.77 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.65 -0.69 . . . . 22.66 110.027 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.639 -0.585 . . . . 5.69 111.639 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -79.52 73.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.437 0.637 . . . . 5.26 109.651 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -83.96 144.66 45.04 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.715 . . . . 3.49 110.377 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.86 -24.0 78.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.792 2.328 . . . . 3.09 111.862 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.07 -48.28 53.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.855 -0.611 . . . . 5.53 110.839 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 p -70.35 -32.44 70.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.371 -0.377 . . . . 3.1 110.976 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.35 -41.23 85.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.417 . . . . 2.93 110.29 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.01 -40.68 87.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.581 . . . . 2.92 110.182 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -64.58 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 3.62 110.448 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.84 -51.45 64.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.707 -0.224 . . . . 3.04 111.298 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.09 -34.63 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.279 . . . . 2.07 110.689 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -74.78 -30.09 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.149 0.499 . . . . 1.33 110.297 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.2 -44.56 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.085 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -60.39 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 3.26 111.026 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG22 ' HH ' ' A' ' 59' ' ' TYR . 9.9 p -65.87 -36.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.577 -0.283 . . . . 2.02 110.773 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.633 -0.258 . . . . 0.77 110.82 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.08 -34.73 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.502 . . . . 0.55 110.486 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.17 -54.42 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.807 -0.633 . . . . 1.98 110.504 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 m -60.53 -32.77 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 1.69 110.702 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.56 -43.32 89.34 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.226 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 22.6 t60 -59.97 -50.27 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 2.67 110.142 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' VAL . 2.4 mp0 -57.96 -46.53 84.98 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.17 0.294 . . . . 1.77 111.015 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.64 -45.84 93.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.833 0.349 . . . . 1.19 110.821 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.26 -33.45 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 1.19 111.011 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.687 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 30.8 mm-40 -67.51 -45.04 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 2.84 110.418 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 17' ' ' GLN . 85.4 t -60.4 -53.01 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 1.28 111.116 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.76 -39.98 95.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 2.34 110.961 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.34 74.07 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.967 -0.635 . . . . 0.94 112.474 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.44 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 1.47 110.919 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -78.76 -24.29 44.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 3.69 110.489 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.89 21.4 33.62 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.629 -0.714 . . . . 1.23 111.665 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.41 173.98 23.49 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.795 -0.717 . . . . 1.27 112.143 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.12 154.37 41.91 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.665 2.244 . . . . 1.94 112.086 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.33 109.76 20.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.233 -0.44 . . . . 3.02 110.053 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.06 148.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.486 -0.561 . . . . 1.88 109.486 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 102.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 1.51 111.292 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.23 111.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 2.04 110.149 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.98 148.06 50.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 2.05 109.86 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -67.22 -25.31 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.28 111.577 -173.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -91.36 -10.22 41.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.269 0.557 . . . . 2.28 110.422 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -69.07 140.85 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.51 . . . . 1.53 110.544 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HG3' HG13 ' A' ' 74' ' ' VAL . 10.2 mpt_? -83.37 145.92 28.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.658 -0.701 . . . . 3.63 109.669 177.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -56.71 -52.27 65.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.976 0.362 . . . . 0.66 111.976 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 p -61.37 -40.53 94.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.856 0.36 . . . . 2.06 111.173 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.26 -31.04 71.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 2.2 110.466 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.65 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 2.05 111.191 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.12 -4.73 23.78 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.459 -0.876 . . . . 0.69 112.952 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -98.2 107.14 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.79 110.615 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 t -78.68 -176.22 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.485 -0.561 . . . . 2.07 109.485 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 m -57.85 -43.78 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.85 0.357 . . . . 1.87 110.974 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.81 -37.46 86.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.151 0.5 . . . . 2.68 110.748 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.83 -39.14 69.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 1.11 110.26 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' O ' HG12 ' A' ' 52' ' ' ILE . 3.7 tt -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.679 -0.692 . . . . 2.07 109.535 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.66 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 1.29 110.919 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -66.23 -35.72 81.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.107 0.48 . . . . 1.24 110.623 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.48 -38.66 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 1.18 110.175 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.9 mm -55.97 -52.76 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 1.35 110.583 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 m -60.71 -34.8 74.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.216 -0.447 . . . . 1.66 111.454 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -72.92 -44.86 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.65 111.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.76 -31.34 68.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 1.79 110.351 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.14 -35.9 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.511 -0.768 . . . . 1.81 110.517 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.0 -17.97 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 1.38 111.559 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.5 t -83.48 -45.94 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.043 0.449 . . . . 1.33 110.87 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.501 ' HH ' HG22 ' A' ' 10' ' ' VAL . 58.5 m-85 -89.18 -36.45 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.271 -0.422 . . . . 1.39 111.556 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.02 -30.45 8.53 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.069 -0.813 . . . . 1.23 111.069 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -97.38 156.16 16.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.274 . . . . 2.22 110.336 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -136.43 116.58 11.05 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.031 0.443 . . . . 4.01 110.077 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -89.04 114.29 0.66 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.351 2.034 . . . . 4.49 111.63 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -119.0 -12.19 9.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.992 0.425 . . . . 4.63 110.696 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.56 -42.72 41.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.022 0.439 . . . . 5.26 109.921 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.61 -39.21 53.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 5.89 110.475 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.62 28.09 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 3.11 111.286 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.05 -27.86 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.274 0.559 . . . . 3.8 110.239 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.34 74.33 10.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.943 -0.571 . . . . 2.22 109.926 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.17 -27.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.636 -0.711 . . . . 1.94 110.624 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -71.34 -25.27 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.628 -0.714 . . . . 2.04 111.362 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -90.74 -2.88 57.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 2.4 110.913 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mm -79.73 89.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.706 -0.85 . . . . 1.26 108.706 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 HG13 ' HG3' ' A' ' 37' ' ' ARG . 48.1 t -103.09 -57.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.502 -0.772 . . . . 1.5 111.012 -173.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 76.6 p -102.02 162.38 12.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.411 . . . . 1.33 110.63 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.78 -37.85 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 1.35 110.127 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.12 66.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.46 -0.791 . . . . 1.18 112.105 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -63.97 -43.85 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 2.04 110.981 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.2 tp -80.18 -44.2 20.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.495 . . . . 1.19 110.718 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.02 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 1.09 111.162 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -60.11 -36.51 77.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 4.78 111.037 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 86' ' ' GLN . . . -67.09 -43.19 83.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 1.29 110.624 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -78.42 -20.19 51.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.31 111.263 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.73 -22.11 64.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.239 0.543 . . . . 1.17 110.029 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -97.1 -4.16 39.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.65 -0.704 . . . . 3.47 110.85 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 15.9 mm100 -84.18 124.23 30.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.396 -0.365 . . . . 4.22 110.235 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.88 53.79 21.49 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.629 -0.796 . . . . 2.96 111.85 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.87 127.08 88.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.029 0.443 . . . . 4.03 110.759 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.04 108.97 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.014 2.476 . . . . 5.49 112.195 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.33 70.09 0.28 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.673 -0.775 . . . . 6.5 112.227 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.34 126.91 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.527 2.151 . . . . 8.95 111.27 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -79.07 129.12 73.97 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.252 -0.431 . . . . 9.92 110.903 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.39 -7.71 21.84 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.799 2.333 . . . . 11.69 111.336 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.63 145.81 98.32 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.267 -0.879 . . . . 12.71 109.858 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.59 -14.25 38.58 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.174 2.583 . . . . 14.26 114.025 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.4 tp -69.35 -51.37 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.77 0.319 . . . . 16.8 110.779 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.99 -19.52 57.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.352 . . . . 13.85 110.622 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.99 -28.28 60.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 14.0 110.413 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -82.39 -38.61 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.18 0.514 . . . . 17.29 110.022 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.6 mt -92.06 62.93 4.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.816 -0.629 . . . . 17.43 110.953 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -96.0 -60.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 16.96 109.723 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -91.5 -31.38 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 18.98 109.285 171.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.32 64.85 2.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 19.61 110.838 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -160.13 160.75 33.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.154 -0.684 . . . . 20.5 109.154 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -90.4 32.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.221 0.534 . . . . 23.01 110.687 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-N 115.467 -0.788 . . . . 22.66 109.44 178.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 112.12 -0.392 . . . . 5.69 112.12 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 39.6 mt 56.61 70.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.537 0.684 . . . . 5.26 110.698 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.51 132.37 37.31 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.64 -0.709 . . . . 3.49 110.217 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.58 -11.96 26.6 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.606 2.204 . . . . 3.09 111.774 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.02 -61.33 2.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.755 -0.657 . . . . 5.53 110.538 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.1 p -67.38 -34.32 77.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 3.1 110.986 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.05 -41.03 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 2.93 111.088 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -71.39 -42.76 67.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.081 0.467 . . . . 2.92 109.987 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -66.55 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 3.62 110.582 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.44 -49.75 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 3.04 110.434 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.21 -40.51 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 2.07 110.507 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.5 tpp -62.75 -46.07 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.33 111.036 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.17 -36.02 82.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.169 0.509 . . . . 1.36 110.165 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -66.11 -52.39 49.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.4 -0.818 . . . . 3.26 111.065 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 p -65.0 -38.12 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.29 . . . . 2.02 110.459 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.24 -40.71 86.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.184 -0.462 . . . . 0.77 110.897 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.55 110.559 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 5.8 tp-100 -68.09 -43.09 79.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 1.98 110.457 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 10' ' ' VAL . 98.5 t -58.26 -46.83 88.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.435 -0.348 . . . . 1.69 110.764 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -57.48 -45.31 85.0 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.96 0.41 . . . . 1.09 109.994 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.48 -37.42 83.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.704 . . . . 2.67 110.679 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 31.2 mm-40 -70.43 -39.85 74.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.583 -0.28 . . . . 1.77 110.536 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 72.4 mt -65.71 -45.15 92.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 1.19 110.302 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.46 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 1.19 110.639 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.45 -49.79 74.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.84 110.295 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' GLN . 92.0 t -59.41 -47.68 89.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.253 -0.43 . . . . 1.28 110.94 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.5 -42.8 98.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 2.34 110.667 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -35.85 86.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.95 -0.643 . . . . 0.94 112.208 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.2 65.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.651 0.262 . . . . 1.47 111.417 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -91.85 -15.23 28.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.0 0.429 . . . . 3.69 110.661 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.83 30.27 18.42 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.861 -0.608 . . . . 1.23 112.586 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.17 157.63 14.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.774 -0.727 . . . . 1.27 112.12 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.34 143.12 75.54 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 1.94 111.865 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.73 138.73 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.132 0.491 . . . . 3.02 110.715 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.94 167.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 1.88 110.577 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.85 98.87 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.13 -0.487 . . . . 1.51 110.364 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.98 118.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.113 -0.494 . . . . 2.04 110.216 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.77 172.75 6.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.559 -0.534 . . . . 2.05 109.559 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 tp -83.08 -31.21 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 1.28 110.331 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.0 6.25 43.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.341 -0.39 . . . . 2.28 111.683 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -84.35 148.85 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.754 0.312 . . . . 1.53 110.844 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 69.8 mtt180 -85.27 141.79 29.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.206 -0.665 . . . . 3.63 109.206 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 70.1 m-85 -61.61 -30.18 70.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.913 -0.403 . . . . 0.66 109.913 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -61.28 -51.53 68.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.712 . . . . 2.06 111.33 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.81 -20.23 53.59 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.887 -0.325 . . . . 2.2 110.974 -175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 91.2 mt -71.46 -20.35 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 2.05 110.152 173.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 4.09 28.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.92 -0.657 . . . . 0.69 113.299 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.49 112.59 20.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.89 0.345 . . . . 1.79 110.124 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -83.81 -173.1 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.367 -0.379 . . . . 2.07 110.602 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.3 m -55.65 -50.66 69.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.767 0.318 . . . . 1.87 111.785 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.7 tp -66.56 -43.28 85.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 2.68 110.55 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.95 -44.42 97.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 1.11 110.752 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 52' ' ' ILE . 8.2 tt -61.71 -45.13 95.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 2.07 109.819 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.94 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.29 110.735 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -59.91 -42.32 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 1.24 109.923 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.5 -44.32 97.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.566 -0.743 . . . . 1.18 110.7 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 48' ' ' LEU . 44.9 mm -57.31 -46.19 85.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.067 0.46 . . . . 1.35 110.221 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -63.11 -37.73 88.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.343 -0.844 . . . . 1.66 110.834 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 97.3 m-20 -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.539 -0.3 . . . . 1.65 110.896 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.46 -29.5 70.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.74 0.305 . . . . 1.79 110.818 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.15 -38.85 86.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 1.81 110.048 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.59 71.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.431 . . . . 1.38 110.675 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 13' ' ' GLN . 88.1 t -76.43 -64.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 1.33 111.414 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -103.42 -50.8 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 1.39 111.617 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.48 1.45 86.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.866 -0.683 . . . . 1.23 112.37 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 p -80.74 -176.56 5.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 122.016 0.126 . . . . 2.22 110.798 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.1 t70 70.79 103.27 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.851 0.719 . . . . 4.01 110.712 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.32 116.08 2.93 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.771 2.314 . . . . 4.49 112.011 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -75.72 -13.85 60.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 4.63 110.815 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.73 86.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.253 0.549 . . . . 5.26 109.539 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.59 -32.45 36.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.646 -0.706 . . . . 5.89 110.274 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.28 28.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 3.11 111.11 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.7 -25.13 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 3.8 111.191 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.84 72.67 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 2.22 110.26 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.01 -19.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 1.94 111.553 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -5.77 27.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.162 0.431 . . . . 2.04 112.162 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 p -77.23 -18.97 57.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.325 0.583 . . . . 2.4 109.929 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.38 89.59 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.842 -0.617 . . . . 1.26 109.972 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.78 -53.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.996 -0.547 . . . . 1.5 110.325 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -105.08 167.62 9.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 1.33 110.885 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 86.3 t -59.58 -39.82 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.753 0.311 . . . . 1.35 110.547 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.615 . . . . 1.18 111.774 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.13 -43.46 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 2.04 110.762 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 tp -73.21 -39.94 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 1.19 110.293 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.54 93.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 1.09 111.049 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 48.1 mtm105 -56.16 -39.07 71.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.569 -0.287 . . . . 4.78 111.406 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.11 -60.02 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.29 111.233 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.3 -9.36 59.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.384 . . . . 1.31 111.824 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' HB3' HG13 ' A' ' 10' ' ' VAL . . . -77.69 -51.19 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.828 -0.434 . . . . 1.17 109.828 172.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.433 ' O ' HG21 ' A' ' 88' ' ' VAL . 16.9 tt0 -71.62 -41.21 69.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 3.47 110.771 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.61 109.51 19.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.255 -0.429 . . . . 4.22 110.02 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.57 -15.92 5.69 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.894 -0.67 . . . . 2.96 111.754 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 85' ' ' GLN . 34.4 m -99.68 147.06 32.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.914 -0.402 . . . . 4.03 109.914 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.99 109.91 1.39 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.525 2.15 . . . . 5.49 111.806 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.75 -73.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.132 -0.556 . . . . 6.5 112.056 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.02 119.19 6.16 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.467 2.111 . . . . 8.95 111.761 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -83.6 125.35 73.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.106 -0.497 . . . . 9.92 110.029 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.96 -10.27 27.27 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.651 2.234 . . . . 11.69 111.93 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -126.34 75.34 73.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 12.71 109.812 176.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.38 -37.61 80.5 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.883 2.389 . . . . 14.26 112.834 -175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.74 -46.7 74.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.572 . . . . 16.8 110.255 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.44 -38.91 92.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 13.85 110.443 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.63 -35.54 79.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 14.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.62 -60.2 3.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 17.29 110.929 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.81 -16.92 64.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 17.43 111.8 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.77 -56.45 6.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.283 -0.417 . . . . 16.96 110.728 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.01 -24.29 23.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.871 -0.604 . . . . 18.98 111.538 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 tp -98.97 72.87 1.93 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.439 0.638 . . . . 19.61 109.536 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -90.98 129.05 37.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 20.5 110.272 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -83.3 122.15 28.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 23.01 110.006 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.47 -0.776 . . . . 22.66 110.398 -177.646 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.599 -0.6 . . . . 5.69 111.599 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 39.8 pt -109.45 152.41 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.641 0.258 . . . . 5.26 110.473 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -109.72 153.89 42.75 Favored Pre-proline 0 N--CA 1.447 -0.581 0 N-CA-C 109.921 -0.4 . . . . 3.49 109.921 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.77 -5.15 16.46 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.179 2.586 . . . . 3.09 113.571 -172.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -89.46 -51.36 5.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.788 -0.449 . . . . 5.53 109.788 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.2 p -66.57 -30.74 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.048 0.451 . . . . 3.1 110.058 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 6' ' ' VAL . 61.4 tp -61.6 -40.86 96.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.735 -0.666 . . . . 2.93 110.484 176.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -70.22 -32.86 70.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.251 0.548 . . . . 2.92 109.576 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -65.43 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.675 -0.693 . . . . 3.62 109.69 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.575 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 47.2 tt0 -66.6 -45.28 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 3.04 110.541 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 2' ' ' LEU . 60.6 t -58.09 -48.05 85.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.232 0.539 . . . . 2.07 110.34 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.59 -31.49 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 1.33 110.365 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.87 -39.29 93.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.36 110.335 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 18.2 mm100 -63.24 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 3.26 111.248 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.6 -33.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.86 -0.336 . . . . 2.02 110.576 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.19 -39.54 93.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.98 0.419 . . . . 0.77 110.254 177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.9 -38.02 89.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.55 110.495 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.47 -44.02 58.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 1.98 111.153 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.78 -38.93 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.499 -0.48 . . . . 1.69 110.106 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.41 -48.04 83.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.177 0.513 . . . . 1.09 109.922 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.3 t-80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.132 -0.94 . . . . 2.67 111.016 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.31 -40.61 90.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 1.77 111.028 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.58 -47.43 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.74 0.305 . . . . 1.19 110.319 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.74 76.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.19 111.002 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.0 mm-40 -63.2 -47.84 80.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 2.84 110.601 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.54 -46.34 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.28 110.898 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.41 -38.14 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.39 -0.368 . . . . 2.34 111.043 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.44 -44.56 95.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.004 -0.617 . . . . 0.94 112.106 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.77 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 1.47 110.853 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.1 -29.64 49.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 3.69 110.328 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.55 11.55 68.49 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.629 -0.714 . . . . 1.23 111.427 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.97 162.66 32.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.14 -0.552 . . . . 1.27 112.012 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.98 123.51 13.37 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.891 2.394 . . . . 1.94 112.751 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.58 110.2 6.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.966 -0.561 . . . . 3.02 109.854 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.85 154.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 1.88 110.807 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 122.21 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 1.51 110.285 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.17 132.26 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 2.04 111.119 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -109.74 139.06 45.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.484 -0.78 . . . . 2.05 109.877 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 tp -74.99 -25.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.768 -0.651 . . . . 1.28 111.035 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.82 -32.04 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 2.28 111.178 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -65.41 160.74 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.579 0.705 . . . . 1.53 111.58 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 54.1 mtm180 -88.52 161.23 17.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.251 -0.886 . . . . 3.63 109.246 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 74.9 m-85 -60.19 -35.76 76.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.968 0.413 . . . . 0.66 110.715 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -62.28 -25.27 67.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 2.06 111.532 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -73.53 -29.64 62.58 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.561 0.219 . . . . 2.2 111.157 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.62 -10.64 53.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 2.05 110.499 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.45 3.94 23.76 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.623 -0.799 . . . . 0.69 113.224 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.41 124.1 29.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.898 0.349 . . . . 1.79 110.336 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -85.84 177.45 7.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.797 -0.446 . . . . 2.07 109.797 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -57.76 -39.69 78.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 1.87 110.683 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.63 -44.15 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 2.68 110.756 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.29 -42.72 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.904 -0.406 . . . . 1.11 109.904 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -57.65 -47.48 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.366 -0.834 . . . . 2.07 110.467 -178.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.39 -51.08 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.21 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -68.11 -33.47 74.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 1.24 110.765 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.0 -44.71 91.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 1.18 110.318 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.7 mt -63.03 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 1.35 110.499 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.8 m -58.3 -35.62 72.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.66 111.061 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.47 -45.17 76.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 1.65 110.77 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.15 -35.97 78.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.05 -0.523 . . . . 1.79 110.483 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.33 -42.49 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 1.81 110.537 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.4 -22.97 65.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 1.38 111.41 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.09 -62.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 1.33 110.942 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -86.2 -34.31 20.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 1.39 111.67 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.44 -7.68 45.63 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.965 -0.561 . . . . 1.23 112.888 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 40.9 p -116.25 112.49 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.96 0.356 . . . . 2.22 111.96 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' THR . 25.8 t0 163.69 91.54 0.01 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 O-C-N 124.653 1.221 . . . . 4.01 108.778 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.1 115.77 3.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.262 1.975 . . . . 4.49 112.402 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.2 6.91 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 4.63 111.066 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.09 72.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.432 -0.581 . . . . 5.26 109.432 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -93.98 -29.5 15.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 5.89 110.556 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.51 29.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.997 0.427 . . . . 3.11 111.225 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.46 -17.53 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.017 -0.538 . . . . 3.8 111.004 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.12 116.69 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 2.22 111.381 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -95.23 -14.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.162 0.506 . . . . 1.94 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -64.15 -29.22 70.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 2.04 111.53 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.3 m -71.9 -30.5 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 2.4 111.108 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -85.07 89.53 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.168 0.509 . . . . 1.26 110.643 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 -50.47 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.952 -0.567 . . . . 1.5 110.274 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 14.9 p -89.07 152.31 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 1.33 110.972 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 80.9 t -61.24 -35.97 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 1.35 110.163 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.401 -0.818 . . . . 1.18 112.127 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.7 -50.6 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 2.04 110.907 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.85 -39.37 87.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.143 -0.48 . . . . 1.19 110.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.52 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 1.09 110.787 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -67.37 -29.77 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 4.78 111.032 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.98 81.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.041 0.448 . . . . 1.29 111.217 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -82.09 -20.68 37.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 1.31 111.404 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.37 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.483 . . . . 1.17 110.244 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.43 -41.14 76.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.633 . . . . 3.47 110.164 177.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 61' ' ' THR . 8.4 tp-100 -65.53 137.4 57.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 4.22 110.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.73 -11.62 20.93 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.944 -0.646 . . . . 2.96 111.516 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.79 133.65 82.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.828 0.347 . . . . 4.03 110.181 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.84 109.82 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.866 2.377 . . . . 5.49 112.055 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 179.29 124.11 0.86 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.081 -0.58 . . . . 6.5 111.791 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.29 136.86 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.572 2.181 . . . . 8.95 111.971 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -76.17 153.56 84.39 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 9.92 109.967 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.31 -15.3 43.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.053 2.502 . . . . 11.69 112.593 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -76.08 130.94 76.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 12.71 110.113 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.16 -22.22 72.8 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.64 2.227 . . . . 14.26 111.812 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.19 -34.48 78.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.563 -0.744 . . . . 16.8 110.116 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 -40.0 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.62 -0.718 . . . . 13.85 110.341 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.95 70.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 14.0 112.443 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.26 -6.32 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.61 0.226 . . . . 17.29 111.61 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.2 mt 49.02 67.89 0.8 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.636 0.606 . . . . 17.43 112.636 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.61 -21.09 19.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.19 -0.671 . . . . 16.96 109.19 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.34 -60.51 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 18.98 109.721 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.67 120.25 25.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.453 -0.794 . . . . 19.61 110.399 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.579 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.2 tpm_? -79.85 -29.67 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.154 0.502 . . . . 20.5 109.782 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.13 158.64 41.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.748 -0.66 . . . . 23.01 109.689 176.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.619 -0.705 . . . . 22.66 109.829 179.651 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.989 -0.445 . . . . 5.69 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -69.69 131.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.194 0.521 . . . . 5.26 111.069 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -77.53 132.7 68.46 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.96 -0.564 . . . . 3.49 110.034 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.78 -24.19 74.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.575 2.183 . . . . 3.09 111.388 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -75.21 -49.13 20.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 5.53 110.697 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.519 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 36.8 p -65.09 -43.16 93.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.985 0.422 . . . . 3.1 110.028 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.51 -36.73 76.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.625 -0.716 . . . . 2.93 110.711 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.31 -36.65 83.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 2.92 110.417 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -71.4 -40.93 70.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 3.62 110.325 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 1' ' ' THR . 96.8 mt-30 -59.78 -48.03 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 3.04 111.349 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 10' ' ' VAL . 14.6 p -68.55 -37.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.712 -0.222 . . . . 2.07 111.174 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 tpt -66.45 -37.76 85.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 1.33 109.809 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.58 -38.96 89.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 1.36 110.361 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 25.7 mt-30 -63.47 -41.46 98.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 3.26 110.898 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 6' ' ' VAL . 48.8 t -65.56 -41.87 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 2.02 110.212 177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.66 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.77 110.476 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.04 -42.12 76.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.55 110.8 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.5 tp-100 -61.36 -56.66 17.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.791 -0.641 . . . . 1.98 110.762 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.6 m -64.39 -35.84 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 1.69 111.264 -177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.86 -49.96 69.85 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.15 0.5 . . . . 1.09 110.643 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 69.4 t60 -62.77 -40.72 98.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.411 -0.813 . . . . 2.67 110.674 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -66.12 -41.3 90.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.321 . . . . 1.77 110.431 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 14' ' ' VAL . 92.3 mt -60.81 -44.2 97.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.861 0.362 . . . . 1.19 110.433 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.64 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.585 . . . . 1.19 111.176 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -70.29 -38.57 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 2.84 110.574 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.3 t -67.83 -48.1 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 1.28 110.53 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.83 -42.99 85.48 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.418 -0.355 . . . . 2.34 110.637 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.48 92.4 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.94 112.209 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.74 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.47 111.237 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -71.81 -32.03 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 3.69 110.972 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 15.49 71.02 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.346 -0.702 . . . . 1.23 111.346 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.58 179.29 49.06 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.13 -0.557 . . . . 1.27 112.578 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.14 119.82 7.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.998 2.466 . . . . 1.94 112.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.81 109.1 8.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 3.02 109.935 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.29 148.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.937 -0.574 . . . . 1.88 110.472 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 129.72 34.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 1.51 110.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.51 138.23 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 2.04 111.35 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.67 178.76 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.266 -0.642 . . . . 2.05 109.266 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -74.39 -33.93 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.394 -0.523 . . . . 1.28 111.148 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.38 -0.96 57.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.227 0.537 . . . . 2.28 111.028 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -62.67 135.05 57.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.486 . . . . 1.53 111.456 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -92.28 133.89 35.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.875 -0.787 . . . . 3.63 108.875 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -62.11 -28.01 69.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.66 112.557 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -63.84 -44.98 91.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.775 0.321 . . . . 2.06 110.431 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.76 -31.17 64.71 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.206 0.527 . . . . 2.2 110.158 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 tp -70.26 -19.08 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.533 -0.758 . . . . 2.05 110.801 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.84 18.48 27.29 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.79 -0.719 . . . . 0.69 112.686 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.26 110.23 22.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.022 -0.362 . . . . 1.79 110.022 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -76.07 174.48 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.201 -0.454 . . . . 2.07 109.935 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -59.96 -36.87 78.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 1.87 110.33 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 46' ' ' LEU . 6.3 mp -67.91 -38.07 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.68 110.148 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.41 -37.58 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 1.11 109.988 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 52' ' ' ILE . 50.6 mt -60.8 -44.38 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 2.07 110.706 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.21 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 1.29 110.591 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.9 m -66.49 -44.05 83.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 1.24 111.081 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.82 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.424 . . . . 1.18 111.014 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 48' ' ' LEU . 70.3 mt -65.3 -33.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.029 -0.532 . . . . 1.35 110.721 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -63.2 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 1.66 110.318 175.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.39 -21.37 62.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 1.65 110.923 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.18 -28.14 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.409 0.623 . . . . 1.79 109.797 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.89 -43.63 86.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.191 -0.913 . . . . 1.81 110.327 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.47 -8.76 43.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.38 111.948 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -87.82 -49.14 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 1.33 110.738 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -95.14 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.064 0.394 . . . . 1.39 112.064 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.48 5.57 78.8 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.357 -0.697 . . . . 1.23 111.357 -173.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.4 p -81.41 136.11 35.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.448 . . . . 2.22 111.329 -177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.91 117.01 52.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 4.01 111.186 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 51.8 Cg_exo -55.48 116.9 3.48 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.002 2.468 . . . . 4.49 112.266 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -79.44 -4.33 50.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.979 -0.555 . . . . 4.63 110.846 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.43 98.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 5.26 111.024 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.54 -18.72 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 5.89 110.811 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.7 -59.7 2.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 3.11 111.249 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -99.9 -70.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.39 -0.368 . . . . 3.8 111.253 -175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.34 147.4 20.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.891 0.377 . . . . 2.22 111.073 -177.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.5 tp -93.63 -21.84 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.925 -0.579 . . . . 1.94 110.153 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -77.67 0.19 24.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 2.04 111.255 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -76.4 -14.66 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 2.4 110.039 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.72 89.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.82 -0.627 . . . . 1.26 109.574 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.96 -58.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 1.5 110.449 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -102.17 162.48 12.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 1.33 110.572 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.01 -35.56 66.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.18 0.514 . . . . 1.35 109.868 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.34 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.451 -0.795 . . . . 1.18 111.426 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.6 -48.24 70.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.898 0.38 . . . . 2.04 110.55 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.68 -45.95 91.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.612 -0.722 . . . . 1.19 110.205 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.17 -53.91 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.579 -0.737 . . . . 1.09 111.236 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -59.35 -42.19 90.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.315 . . . . 4.78 111.546 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.78 94.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 1.29 111.728 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' OH ' ' HA ' ' A' ' 63' ' ' PRO . 83.0 m-85 -90.73 -9.98 44.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.839 0.311 . . . . 1.31 111.839 -177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.47 28.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.265 0.555 . . . . 1.17 109.931 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -77.82 -17.77 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 3.47 110.048 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -82.37 158.83 23.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.22 -0.659 . . . . 4.22 109.22 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.72 -18.98 56.4 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 110.9 -0.88 . . . . 2.96 110.9 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.48 151.54 78.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.926 -0.768 . . . . 4.03 108.926 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 109.23 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.718 2.279 . . . . 5.49 112.145 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.68 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.908 -0.587 . . . . 6.5 111.78 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.52 120.21 7.83 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.602 2.202 . . . . 8.95 111.598 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.6 p -68.47 120.01 72.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.149 -0.478 . . . . 9.92 110.997 -177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.17 -31.21 82.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.762 2.308 . . . . 11.69 111.755 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -143.76 109.87 5.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.737 . . . . 12.71 110.079 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -85.14 -5.42 9.51 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.514 2.143 . . . . 14.26 113.259 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.99 -51.06 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 16.8 110.284 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -14.11 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 13.85 110.175 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.34 77.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.343 0.592 . . . . 14.0 109.704 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.682 -0.69 . . . . 17.29 109.997 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.28 14.73 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 17.43 111.083 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -60.14 -34.24 73.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 16.96 109.793 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.23 16.41 26.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.056 -0.974 . . . . 18.98 110.733 -176.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.28 124.89 21.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.206 0.527 . . . . 19.61 110.462 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -107.3 159.66 16.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.684 -0.689 . . . . 20.5 110.362 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.61 47.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.522 0.677 . . . . 23.01 110.076 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.292 -0.867 . . . . 22.66 109.78 -178.106 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.961 0.41 . . . . 2.67 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -77.65 -38.22 48.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 2.94 110.062 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.86 -47.35 86.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 2.67 111.269 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.49 -34.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.558 -0.292 . . . . 1.59 110.808 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.34 -42.73 83.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.412 0.625 . . . . 0.75 109.729 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.65 -34.7 78.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.645 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.54 -50.71 71.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 2.62 110.963 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.0 m -69.98 -31.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.659 -0.246 . . . . 1.39 110.783 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.59 -49.88 76.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.441 -0.345 . . . . 0.65 110.775 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -39.94 77.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.117 -0.492 . . . . 0.55 110.935 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 49.7 tp60 -64.09 -50.34 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.982 -0.554 . . . . 1.37 110.204 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' VAL . 95.1 t -59.53 -44.31 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.109 -0.496 . . . . 1.08 111.035 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.69 -45.68 73.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.874 0.369 . . . . 1.09 110.865 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -65.4 -35.59 81.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 2.01 110.76 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 83.8 mm-40 -72.97 -36.57 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.387 -0.37 . . . . 1.54 110.546 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.93 -45.68 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.45 110.315 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.19 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.51 110.632 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.41 -48.58 79.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 2.35 110.856 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.6 t -59.83 -57.61 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.69 111.154 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.11 -37.89 86.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 1.67 110.743 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -39.9 97.74 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.124 -0.56 . . . . 0.94 112.467 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.65 75.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 1.19 111.085 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 48.9 mtpt -74.55 -19.8 60.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 3.21 111.102 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.94 18.87 32.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 1.22 112.656 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.83 149.61 18.54 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.778 -0.725 . . . . 1.1 112.064 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.85 137.41 78.64 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.106 2.537 . . . . 1.64 112.224 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.89 115.92 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 2.51 111.144 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.15 149.29 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.698 -0.683 . . . . 1.34 109.908 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.54 122.46 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.882 0.372 . . . . 0.98 110.63 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.25 104.09 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 1.31 111.155 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 44.2 mm-40 -95.31 143.61 26.55 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 2.05 109.291 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.73 -28.4 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.574 . . . . 0.7 111.974 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -98.34 8.96 44.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.815 0.34 . . . . 2.28 110.765 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 42.5 t -84.77 150.17 25.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 1.17 110.955 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -84.6 141.25 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 3.15 109.376 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 48.1 m-85 -60.19 -37.89 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.782 0.325 . . . . 0.54 110.781 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 30.7 t -66.52 -26.9 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 1.63 110.59 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.12 -33.42 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 2.2 110.088 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.78 -15.56 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 1.44 111.143 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -0.13 19.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.442 -0.885 . . . . 0.56 112.896 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.2 mm? -83.02 124.13 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.848 -0.427 . . . . 1.09 109.848 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -89.33 -176.78 5.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.684 -0.488 . . . . 1.66 109.684 175.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -55.94 -47.89 76.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 1.55 111.25 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.99 -37.63 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 2.22 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -68.49 -37.25 79.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.438 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.14 -46.53 90.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 1.42 109.767 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.85 95.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.612 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.0 m -62.67 -45.14 94.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.6 110.565 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.09 -43.64 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.44 110.9 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.65 -47.56 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.72 110.503 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -62.65 -36.12 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.97 -0.559 . . . . 1.21 111.158 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -65.67 -31.7 72.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 1.44 110.849 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 tp -81.69 -39.11 24.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.241 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.82 -45.1 78.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.972 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.92 -13.27 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.65 111.887 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 54' ' ' ASN . 90.2 t -82.9 -57.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.405 . . . . 0.58 110.7 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -85.53 -28.01 25.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.04 111.744 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 C-N-CA 120.807 -0.711 . . . . 1.23 111.357 -175.447 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.757 0.313 . . . . 1.59 111.412 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -85.5 -6.06 59.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.035 0.445 . . . . 1.94 110.478 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.65 89.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.67 109.32 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.69 -57.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.031 -0.531 . . . . 0.88 111.003 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.5 p -97.49 164.71 12.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.815 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 65.3 t -56.27 -42.19 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.6 110.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.17 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.553 -0.749 . . . . 0.36 111.93 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.26 -45.05 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 2.04 111.171 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.41 -42.7 61.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.912 0.387 . . . . 0.53 110.235 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.824 -0.625 . . . . 0.38 110.818 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 81' ' ' ARG . 43.9 ttp180 -54.56 -43.37 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 4.06 111.409 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.59 111.547 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -87.0 -13.83 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.517 -0.311 . . . . 0.9 111.387 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.94 -27.95 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.06 0.457 . . . . 0.72 110.488 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 2.83 110.979 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.835 0.35 . . . . 2.67 110.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.68 -42.15 96.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 2.94 110.635 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.95 -53.4 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.67 111.537 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.35 -31.04 49.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.65 0.262 . . . . 1.59 111.164 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.1 tpt -77.29 -37.42 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.75 110.735 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -72.5 -29.96 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.829 -0.434 . . . . 1.36 109.829 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.07 -51.03 68.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.62 110.571 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.2 p -67.34 -31.57 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 110.157 -0.312 . . . . 1.39 110.157 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 71.9 t80 -65.56 -45.02 84.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.65 110.615 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.98 -38.77 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 0.55 110.327 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.2 tp60 -67.1 -49.6 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.601 -0.727 . . . . 1.37 111.025 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.0 m -65.51 -36.14 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.827 -0.349 . . . . 1.08 110.426 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.01 -44.59 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.252 0.548 . . . . 1.09 109.826 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 14.6 t60 -65.54 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.622 -0.717 . . . . 2.01 110.193 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 32.7 mm-40 -66.98 -49.93 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 1.54 110.31 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 82.8 mt -56.9 -44.62 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.112 -0.495 . . . . 0.45 110.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.64 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.51 111.77 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.0 mt-30 -74.36 -33.63 63.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.949 0.404 . . . . 2.35 110.722 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.99 -38.52 72.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.45 . . . . 0.69 110.24 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 85.5 mt -60.35 -39.3 86.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 1.67 110.144 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.08 93.14 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.699 -0.682 . . . . 0.94 111.934 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.42 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 1.19 110.688 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -73.16 -19.03 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 3.21 110.342 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.52 28.4 32.88 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.583 -0.735 . . . . 1.22 112.484 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.03 179.84 16.24 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.638 -0.791 . . . . 1.1 112.795 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.53 168.14 25.5 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.457 2.771 . . . . 1.64 112.366 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.06 108.96 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 2.51 110.218 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.4 164.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.878 -0.601 . . . . 1.34 111.355 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.33 97.9 11.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.566 . . . . 0.98 110.44 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.95 130.99 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.895 -0.593 . . . . 1.31 110.721 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.65 168.12 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.853 -0.612 . . . . 2.05 109.47 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.1 -11.66 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.176 -0.466 . . . . 0.7 112.043 -173.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -112.39 7.13 19.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.067 -0.396 . . . . 2.28 111.379 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -74.03 128.58 35.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 1.17 111.058 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -81.66 138.88 35.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.037 -0.727 . . . . 3.15 109.037 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -62.27 -23.37 66.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.54 111.018 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -63.7 -52.33 61.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.911 -0.586 . . . . 1.63 110.444 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -80.73 -10.27 59.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 2.2 110.995 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.82 -20.12 33.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 1.44 110.675 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.57 18.87 22.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.603 -0.808 . . . . 0.56 112.981 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.94 104.7 16.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.954 -0.387 . . . . 1.09 109.954 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.87 178.98 6.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.891 -0.595 . . . . 1.66 110.982 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -53.49 -64.72 0.73 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.072 0.768 . . . . 1.55 113.072 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.8 -37.29 86.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 2.22 111.094 -175.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -65.93 -45.67 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.882 -0.599 . . . . 1.11 110.451 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 tp -65.11 -41.72 94.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 1.42 110.416 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.096 0.474 . . . . 0.63 110.79 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.2 m -69.61 -38.42 77.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.6 110.284 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.378 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.1 mm -54.94 -53.01 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.872 -0.604 . . . . 0.72 110.667 177.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -62.6 -34.8 77.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 1.21 111.384 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.6 m-80 -61.28 -52.52 64.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 1.44 110.982 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.65 -37.35 79.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.411 . . . . 1.22 110.596 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 7.7 tm-20 -58.75 -44.68 90.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 1.81 110.063 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.12 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.65 111.157 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ASN . 79.5 t -66.18 -46.1 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.58 111.031 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.91 -47.74 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.823 0.345 . . . . 1.04 111.869 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.718 -176.187 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.887 0.375 . . . . 1.59 111.693 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 m -80.33 -26.07 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 1.94 110.052 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.92 89.46 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.99 -0.55 . . . . 0.67 109.595 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.15 -49.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.656 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.3 p -109.35 162.79 14.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.91 -0.587 . . . . 0.65 110.497 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.33 -33.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.934 0.397 . . . . 0.6 110.572 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.82 77.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.694 . . . . 0.36 111.283 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -59.97 -47.34 86.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.222 0.534 . . . . 2.04 110.16 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.64 -38.84 70.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.353 -0.839 . . . . 0.53 110.631 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.68 69.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.842 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.7 mtm-85 -63.53 -30.13 71.3 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.475 0.176 . . . . 4.06 111.475 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -40.48 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.59 110.571 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.434 ' OH ' ' HA ' ' A' ' 56' ' ' GLU . 72.3 m-85 -90.19 -15.21 31.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.9 111.642 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.81 -29.74 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 0.72 110.261 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.709 -0.678 . . . . 2.83 110.858 177.594 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.8 OUTLIER . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.107 0.48 . . . . 2.67 110.022 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -71.65 -40.94 69.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 2.94 109.597 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.08 -52.93 62.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.134 -0.939 . . . . 2.67 111.111 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.85 -26.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.78 0.324 . . . . 1.59 110.933 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -75.75 -40.63 55.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.487 -0.324 . . . . 0.75 111.505 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.94 -23.75 52.42 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.832 -0.747 . . . . 1.36 109.95 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.59 -45.85 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 2.62 110.931 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.18 -37.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.948 -0.301 . . . . 1.39 110.527 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.9 t80 -62.19 -44.93 95.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.845 0.355 . . . . 0.65 110.174 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.99 -40.68 81.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.822 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.67 -47.13 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 1.37 110.927 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.5 m -67.48 -33.73 64.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 120.685 -0.406 . . . . 1.08 110.669 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.82 -49.13 76.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.306 0.574 . . . . 1.09 110.224 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -67.55 -39.31 84.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.585 -0.734 . . . . 2.01 110.849 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.37 -48.63 64.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.54 111.288 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.18 -42.89 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.45 110.746 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.12 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.51 111.432 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -79.48 -33.94 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 2.35 111.302 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.25 -46.4 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.69 110.315 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.09 -39.85 93.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 1.67 110.514 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.16 97.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.074 -0.584 . . . . 0.94 112.169 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.0 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 1.19 111.088 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -82.79 -31.58 28.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.159 0.504 . . . . 3.21 110.421 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.32 15.49 17.43 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.816 -0.707 . . . . 1.22 111.942 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.87 145.26 20.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.706 -0.759 . . . . 1.1 111.785 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.41 144.74 62.72 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.557 2.172 . . . . 1.64 111.868 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.42 112.63 18.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.3 -0.409 . . . . 2.51 110.602 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -111.06 178.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.919 -0.582 . . . . 1.34 110.77 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.25 102.24 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.98 111.224 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.82 126.08 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.117 0.484 . . . . 1.31 110.405 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.4 172.78 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 2.05 110.332 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -73.41 -35.12 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.938 0.399 . . . . 0.7 110.912 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -95.09 16.83 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.447 . . . . 2.28 110.52 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 t -85.75 146.88 26.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 1.17 110.242 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.77 130.76 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.184 -0.462 . . . . 3.15 110.102 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 89.1 m-85 -59.08 -31.56 69.01 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.463 -0.79 . . . . 0.54 111.837 -175.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -61.05 -34.18 74.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 1.63 110.892 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.08 -34.02 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.095 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -77.09 -5.59 49.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 1.44 110.864 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 28.88 13.17 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.683 -0.77 . . . . 0.56 111.86 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -107.89 119.49 39.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.718 -0.475 . . . . 1.09 109.718 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -96.75 -175.07 3.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.422 -0.354 . . . . 1.66 110.224 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -58.73 -41.22 85.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.765 0.317 . . . . 1.55 110.844 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.23 -42.22 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 2.22 110.589 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.94 -40.02 87.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.14 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 mt -65.9 -39.99 91.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.42 110.943 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.07 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.63 110.28 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -70.13 -44.92 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.842 -0.617 . . . . 0.6 110.834 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.41 -50.99 71.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.121 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.5 mt -62.78 -42.62 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.72 110.776 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 m -61.08 -36.95 81.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.256 0.55 . . . . 1.21 110.833 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -75.22 -31.61 60.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.583 -0.735 . . . . 1.44 110.517 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 2.5 mm? -70.23 -34.9 73.44 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.494 -0.321 . . . . 1.22 110.693 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.48 -38.24 71.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.81 110.195 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.94 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.65 111.576 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.16 -43.69 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.462 -0.335 . . . . 0.58 111.071 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -96.84 -30.18 13.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.208 0.447 . . . . 1.04 112.208 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 111.432 -0.667 . . . . 1.23 111.432 -175.44 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.945 0.35 . . . . 1.59 111.945 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -80.42 -30.24 37.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 1.94 110.44 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.68 90.23 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.779 -0.646 . . . . 0.67 109.929 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.47 -45.8 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.88 110.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -119.64 168.0 11.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.349 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.591 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 89.0 t -58.14 -40.0 75.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.371 . . . . 0.6 110.348 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.88 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.643 -0.708 . . . . 0.36 112.266 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.68 -41.27 88.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 2.04 110.863 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.11 -40.8 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.53 110.379 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.41 97.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.249 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.77 -31.76 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.683 0.278 . . . . 4.06 110.656 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.027 0.441 . . . . 0.59 110.475 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 55' ' ' LEU . 73.8 m-85 -87.77 -11.43 48.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.149 -0.478 . . . . 0.9 111.425 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.28 54.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.403 0.621 . . . . 0.72 109.395 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.143 -0.935 . . . . 2.83 109.574 174.429 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.606 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.126 0.488 . . . . 2.67 110.174 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -69.55 -34.69 74.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 2.94 110.093 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.74 -35.25 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 2.67 110.632 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.75 -47.29 91.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.092 0.473 . . . . 1.59 110.073 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.6 tpt -70.09 -34.46 73.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.701 -0.681 . . . . 0.75 110.326 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.14 -42.3 85.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.36 110.484 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.68 -50.92 71.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 2.62 111.204 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.47 -34.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 1.39 111.108 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' VAL . 60.7 t80 -70.15 -37.84 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.65 110.534 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.08 -31.01 71.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.55 109.959 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.11 -50.44 48.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.409 -0.814 . . . . 1.37 110.567 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.3 m -62.24 -36.71 75.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 120.844 -0.342 . . . . 1.08 110.584 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.17 -49.39 74.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.149 0.5 . . . . 1.09 110.158 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -59.95 -37.15 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.796 . . . . 2.01 110.76 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 84.9 mm-40 -74.16 -42.3 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 1.54 111.108 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' VAL . 84.9 mt -60.33 -43.24 93.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.526 -0.306 . . . . 0.45 110.454 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.34 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.51 110.879 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.83 -51.75 56.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 2.35 111.043 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 -52.52 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.69 111.188 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.05 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.233 -0.187 . . . . 1.67 111.089 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.72 72.44 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.746 -0.74 . . . . 0.94 112.144 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.29 55.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 1.19 111.037 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.87 -30.99 56.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 3.21 110.638 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.43 16.89 51.78 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.22 111.548 -176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 28' ' ' PRO . . . -96.95 148.1 18.89 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.086 -0.578 . . . . 1.1 112.034 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD3' ' HA2' ' A' ' 27' ' ' GLY . 27.2 Cg_exo -62.52 127.19 20.13 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.819 2.346 . . . . 1.64 112.578 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 tp -90.5 114.69 26.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.118 -0.492 . . . . 2.51 110.161 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 m -110.76 172.24 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 1.34 110.318 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.61 24.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.945 0.402 . . . . 0.98 110.924 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -105.44 139.86 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 1.31 110.457 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.94 171.63 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.157 -0.474 . . . . 2.05 109.785 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.96 -31.03 44.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.888 0.375 . . . . 0.7 111.082 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -93.18 5.67 50.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.272 0.558 . . . . 2.28 110.768 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.1 m -68.15 136.43 53.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.962 0.411 . . . . 1.17 110.651 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.0 130.72 36.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.88 -0.785 . . . . 3.15 108.88 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 86.5 m-85 -58.89 -39.63 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 0.54 111.842 -174.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 22.7 m -65.09 -41.08 95.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.017 0.437 . . . . 1.63 110.308 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.66 -28.38 65.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.615 -0.721 . . . . 2.2 110.304 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.5 tp -74.17 -20.13 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.626 -0.716 . . . . 1.44 110.713 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 7.94 12.04 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.86 -0.686 . . . . 0.56 113.13 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.4 mm? -104.57 123.2 47.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.35 . . . . 1.09 110.056 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 t -79.28 173.47 12.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.378 -0.601 . . . . 1.66 109.378 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 p -57.01 -40.87 77.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.88 0.371 . . . . 1.55 110.652 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.26 -43.47 98.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 2.22 110.6 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' HB3' HD12 ' A' ' 43' ' ' LEU . 19.8 m-20 -66.99 -42.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.819 -0.628 . . . . 1.11 109.995 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.0 tp -62.6 -40.91 98.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.476 -0.784 . . . . 1.42 110.436 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.05 87.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.878 0.37 . . . . 0.63 110.59 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -66.31 -42.08 88.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.6 110.089 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.4 tp -61.01 -47.83 84.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.44 111.091 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.6 mt -63.7 -43.72 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.72 111.317 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 p -67.77 -38.57 83.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 1.21 111.132 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 1.44 110.472 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.13 -36.84 75.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 1.22 110.267 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.92 -43.65 94.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.855 -0.611 . . . . 1.81 110.267 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.13 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.65 111.35 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.63 -48.47 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.365 . . . . 0.58 110.74 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.28 -44.91 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 1.04 111.821 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 121.017 -0.611 . . . . 1.23 111.945 -176.555 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 112.281 0.474 . . . . 1.59 112.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 m -75.37 -24.4 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.457 . . . . 1.94 110.444 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.14 98.56 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.696 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.45 -60.38 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.047 -0.524 . . . . 0.88 110.715 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -111.17 174.84 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.909 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 83.2 t -59.57 -35.78 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.181 0.515 . . . . 0.6 110.084 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.03 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.431 -0.804 . . . . 0.36 111.713 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.09 -35.53 81.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 2.04 110.71 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.7 tp -80.8 -50.75 9.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 0.53 110.913 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.21 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 0.38 111.88 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.99 -31.88 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 4.06 110.841 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.66 -56.5 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.59 111.017 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -66.37 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.561 -0.29 . . . . 0.9 111.343 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.63 61.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.72 111.627 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 2.83 110.927 176.614 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.173 0.511 . . . . 2.67 109.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -67.08 -40.46 86.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 2.94 109.551 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.75 -46.44 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.614 . . . . 2.67 111.623 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.39 -29.23 41.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.998 0.428 . . . . 1.59 110.084 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.7 tpt -68.1 -39.6 82.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.485 -0.561 . . . . 0.75 109.485 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.58 -40.96 84.64 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.942 -0.572 . . . . 1.36 110.369 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.28 -51.99 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.345 -0.843 . . . . 2.62 110.806 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.86 -43.96 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.39 111.407 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.447 -0.342 . . . . 0.65 111.316 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.9 -33.31 75.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.55 110.146 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 56.3 tp60 -63.32 -55.06 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 1.37 110.605 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.2 m -63.91 -36.2 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 1.08 110.991 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.73 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.982 0.42 . . . . 1.09 110.106 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 51.7 t-80 -56.73 -44.58 81.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 2.01 110.501 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -63.87 -41.86 97.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 1.54 110.838 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.8 mt -58.72 -46.73 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.45 110.362 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -34.77 76.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.717 -0.674 . . . . 0.51 111.485 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -72.14 -43.32 64.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.62 0.248 . . . . 2.35 111.041 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.8 -44.84 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.69 110.554 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 22' ' ' LEU . 14.0 tp -68.34 -37.41 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 1.67 110.633 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.67 95.13 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.113 -0.565 . . . . 0.94 112.381 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.45 -18.15 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.112 0.482 . . . . 1.19 110.968 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -82.72 -20.75 35.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 3.21 110.292 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 9.38 44.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.73 . . . . 1.22 111.992 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.87 157.84 23.03 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.993 -0.622 . . . . 1.1 111.97 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.86 157.29 47.69 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.775 2.316 . . . . 1.64 111.768 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -74.58 108.69 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.53 -0.915 . . . . 2.51 108.53 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 m -87.97 156.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 1.34 111.364 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.07 100.16 8.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.98 109.581 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.12 114.5 17.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.82 -0.627 . . . . 1.31 110.821 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 24.7 mm-40 -95.2 153.03 17.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.273 -0.64 . . . . 2.05 109.273 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 77' ' ' ALA . 9.9 tp -64.86 -26.52 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.093 0.473 . . . . 0.7 110.822 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -98.64 4.77 48.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 2.28 111.337 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 33' ' ' GLU . 73.6 m -67.01 117.67 9.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.411 . . . . 1.17 111.3 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -69.41 126.31 29.38 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.296 -1.001 . . . . 3.15 108.296 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' HD21 ' A' ' 48' ' ' LEU . 45.9 m-85 -49.93 -53.0 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.791 0.663 . . . . 0.54 112.791 -169.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.0 m -66.01 -29.27 69.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.738 0.304 . . . . 1.63 111.465 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.42 -30.49 64.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 2.2 110.292 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 tp -79.77 -17.24 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 1.44 110.654 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.22 5.0 15.37 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.839 -0.696 . . . . 0.56 112.999 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.88 103.42 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.959 0.409 . . . . 1.09 110.169 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 -178.99 7.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.191 -0.458 . . . . 1.66 111.399 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -50.54 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 1.55 111.87 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.1 -40.99 91.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 2.22 110.815 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 -41.24 98.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 1.11 110.445 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 38' ' ' PHE . 34.6 mt -59.41 -47.53 85.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 1.42 111.28 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -47.17 80.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.63 110.398 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -65.1 -43.34 92.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.6 110.871 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.03 -54.11 48.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.342 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 48' ' ' LEU . 35.1 mt -67.43 -28.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.337 -0.392 . . . . 0.72 110.898 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -66.5 -41.71 88.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.841 0.353 . . . . 1.21 110.577 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.18 -36.57 77.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 1.44 109.837 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.57 -36.19 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 1.22 110.417 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.68 -45.36 81.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.181 -0.463 . . . . 1.81 110.219 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.06 63.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.65 111.421 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.49 -50.94 19.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.414 -0.357 . . . . 0.58 110.798 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.76 -32.62 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 1.04 112.119 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.184 0 C-N-CA 121.024 -0.608 . . . . 1.23 112.033 -177.246 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.786 0.327 . . . . 1.59 111.642 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -79.93 -19.26 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.382 -0.599 . . . . 1.94 109.382 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.93 89.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.666 -0.697 . . . . 0.67 109.419 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.06 -51.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.129 -0.487 . . . . 0.88 110.551 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -107.22 162.43 13.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.583 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.52 -37.73 53.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.6 110.192 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -52.94 -38.7 62.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.649 -0.705 . . . . 0.36 111.681 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -63.52 -48.27 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 2.04 110.918 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.5 tp -70.96 -42.72 69.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.53 110.48 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.28 83.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.38 111.39 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 47.8 mtm105 -62.04 -36.11 80.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.718 -0.219 . . . . 4.06 111.288 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.16 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.59 110.918 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.25 -12.57 57.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.9 111.39 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.57 -24.52 61.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 0.72 110.131 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 79.7 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 2.83 110.393 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.849 0.357 . . . . 2.67 110.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -63.12 -36.04 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.94 110.619 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 92.1 mt-30 -63.59 -50.86 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.108 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.2 -36.54 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.59 110.463 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.51 -37.03 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.749 -0.66 . . . . 0.75 110.849 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.12 -37.98 87.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.08 0.467 . . . . 1.36 110.089 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 92.1 mt-30 -63.95 -46.42 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 2.62 111.16 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.9 p -70.84 -35.52 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.955 -0.298 . . . . 1.39 110.533 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HA ' HG22 ' A' ' 14' ' ' VAL . 55.2 t80 -63.12 -43.75 97.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.641 0.257 . . . . 0.65 110.413 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.09 -36.25 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.55 110.933 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 11.7 tt0 -77.35 -45.2 26.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.988 -0.551 . . . . 1.37 111.053 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 11' ' ' PHE . 12.5 m -66.03 -33.76 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.723 -0.391 . . . . 1.08 110.303 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.37 -45.87 90.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.184 0.516 . . . . 1.09 109.784 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 32.5 t-80 -62.32 -40.7 97.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 2.01 110.415 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 12.5 mm100 -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 1.54 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.9 mt -58.67 -45.32 90.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.15 0.5 . . . . 0.45 109.851 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.0 71.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.74 . . . . 0.51 111.371 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.3 mm-40 -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 2.35 110.349 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.5 -42.33 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.69 110.248 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 84.8 mt -60.67 -41.76 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 1.67 110.403 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.95 -36.16 90.57 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.718 -0.674 . . . . 0.94 112.114 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -32.64 74.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 1.19 110.745 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -77.44 -22.18 51.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 3.21 110.37 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.07 22.31 78.03 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.319 -0.855 . . . . 1.22 111.563 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.09 177.56 33.97 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.791 -0.719 . . . . 1.1 112.794 -174.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.97 146.13 51.9 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.182 2.588 . . . . 1.64 111.939 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.63 134.53 48.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 2.51 110.369 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.05 171.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.991 -0.55 . . . . 1.34 110.506 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 106.13 18.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.721 -0.474 . . . . 0.98 109.721 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.36 112.15 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.428 0.632 . . . . 1.31 112.149 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -112.81 174.65 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.948 -0.76 . . . . 2.05 108.948 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -72.09 -26.35 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.466 0.65 . . . . 0.7 110.141 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.39 2.53 52.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 2.28 111.026 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -75.55 143.24 42.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 1.17 111.112 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -90.04 140.27 29.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.026 -0.731 . . . . 3.15 109.026 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.4 ' CG ' HD21 ' A' ' 48' ' ' LEU . 78.7 m-85 -64.69 -16.77 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.478 0.547 . . . . 0.54 112.478 -172.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 t -65.21 -34.91 79.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.101 0.477 . . . . 1.63 109.819 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.24 -12.3 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 2.2 110.204 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.05 1.95 39.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.777 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 31.34 68.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.56 112.564 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 mt -119.24 119.35 33.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.9 0.381 . . . . 1.09 110.59 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 t -96.47 -173.47 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.391 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 t -58.62 -41.55 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.004 0.431 . . . . 1.55 110.774 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.98 -39.5 93.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.353 0.597 . . . . 2.22 110.541 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -71.2 -35.95 71.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 1.11 109.928 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 52' ' ' ILE . 29.3 mt -60.88 -49.76 76.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.882 -0.599 . . . . 1.42 110.814 175.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.5 71.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.283 0.563 . . . . 0.63 110.585 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 m -69.13 -44.0 73.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.6 110.804 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.36 -45.44 91.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.44 111.096 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 48' ' ' LEU . 68.4 mt -60.55 -37.49 75.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.72 110.424 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m -69.51 -35.05 75.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.376 -0.375 . . . . 1.21 110.803 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.06 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 1.44 110.914 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 tp -87.22 -31.24 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.139 0.495 . . . . 1.22 110.17 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.27 -48.52 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.452 -0.795 . . . . 1.81 110.94 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.32 -9.3 46.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.65 111.936 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.19 -46.03 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.578 -0.283 . . . . 0.58 110.871 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -98.07 -19.05 18.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.141 0.423 . . . . 1.04 112.141 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.442 0 C-N-CA 120.72 -0.753 . . . . 1.23 111.572 -177.116 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 1.59 111.384 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -68.85 -22.26 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 1.94 110.518 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -81.46 96.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.948 -0.569 . . . . 0.67 110.338 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.55 -53.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 0.88 110.086 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -117.98 176.85 5.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.205 -0.452 . . . . 0.65 110.88 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.54 -35.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.607 -0.516 . . . . 0.6 109.607 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.71 71.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.382 -0.827 . . . . 0.36 111.659 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.6 -45.32 85.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.018 0.437 . . . . 2.04 110.816 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.14 -47.23 45.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.53 110.984 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.27 64.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.38 111.742 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -66.72 -23.27 66.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 4.06 111.222 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.85 -53.22 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.413 -0.358 . . . . 0.59 110.376 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -79.6 -20.96 45.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.9 111.303 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -28.17 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.72 110.734 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 2.83 110.842 177.47 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.838 0.351 . . . . 2.67 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.08 -29.5 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.302 -0.408 . . . . 2.94 110.505 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.41 -52.82 50.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 2.67 110.751 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.79 -29.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 1.59 110.477 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.1 tpt -62.98 -44.94 94.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.709 -0.478 . . . . 0.75 109.709 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.0 -38.43 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.36 110.351 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.1 -51.28 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 2.62 110.447 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.11 -45.11 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.607 -0.724 . . . . 1.39 110.686 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HA ' HG22 ' A' ' 14' ' ' VAL . 90.1 t80 -61.75 -45.85 92.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.65 110.833 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.96 -40.6 85.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 0.55 110.799 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.5 -46.1 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.895 -0.593 . . . . 1.37 111.062 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 20.6 m -70.55 -35.71 62.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.84 -0.344 . . . . 1.08 110.469 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.08 -48.57 79.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.183 0.516 . . . . 1.09 110.065 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.08 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.322 -0.853 . . . . 2.01 110.047 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 tp-100 -69.99 -42.35 73.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.976 -0.556 . . . . 1.54 110.598 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 97.6 mt -58.94 -47.34 90.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.914 0.388 . . . . 0.45 110.34 176.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.99 81.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.763 -0.653 . . . . 0.51 110.77 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -62.51 -44.63 95.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 2.35 110.861 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 17' ' ' GLN . 84.5 t -63.6 -43.19 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.675 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.55 -44.69 95.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.67 110.765 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.54 -36.2 87.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.83 -0.623 . . . . 0.94 112.16 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.3 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 1.19 110.841 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.02 -10.32 59.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 3.21 111.087 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.15 76.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.939 -0.648 . . . . 1.22 111.793 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.76 167.62 25.77 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.933 -0.651 . . . . 1.1 112.193 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.23 124.62 14.19 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.844 2.363 . . . . 1.64 112.052 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.1 tp -71.46 109.48 5.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.126 0.488 . . . . 2.51 110.205 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.95 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.592 -0.731 . . . . 1.34 110.703 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.07 90.79 7.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.146 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -77.37 122.69 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.893 -0.594 . . . . 1.31 110.687 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.33 179.86 4.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.583 -0.735 . . . . 2.05 110.163 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -61.37 -41.03 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 112.306 0.484 . . . . 0.7 112.306 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.23 22.65 13.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.913 0.387 . . . . 2.28 111.452 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HB3' HD21 ' A' ' 41' ' ' LEU . 56.5 m -75.75 140.97 42.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.322 -0.399 . . . . 1.17 110.395 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 49.5 mtp180 -94.99 127.97 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.205 0.526 . . . . 3.15 109.816 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CG ' HD21 ' A' ' 48' ' ' LEU . 62.8 m-85 -56.11 -37.46 69.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.985 -1.007 . . . . 0.54 112.424 -172.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -59.42 -42.2 91.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.137 0.494 . . . . 1.63 111.031 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.28 -15.22 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 2.2 110.759 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 36' ' ' SER . 88.5 mt -88.22 -20.79 25.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.48 . . . . 1.44 110.781 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.62 17.34 10.58 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.8 -0.714 . . . . 0.56 112.491 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.3 mm? -105.45 100.19 9.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.829 -0.434 . . . . 1.09 109.829 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -83.54 -173.03 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.204 -0.453 . . . . 1.66 110.344 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 m -57.5 -49.43 76.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 1.55 111.131 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.19 -37.07 86.14 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.247 -0.433 . . . . 2.22 110.759 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.04 -45.74 90.82 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.945 -0.391 . . . . 1.11 109.945 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 38' ' ' PHE . 51.7 mt -63.03 -48.16 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.42 111.211 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.19 -42.32 69.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.63 110.658 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -71.48 -46.06 60.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.6 110.629 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.57 -49.74 76.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.517 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.2 mt -63.64 -38.36 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.711 0.291 . . . . 0.72 110.57 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 35.1 m -70.0 -34.87 73.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 1.21 110.375 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -69.04 -30.67 69.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.862 -0.608 . . . . 1.44 109.837 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.13 -21.72 49.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.568 . . . . 1.22 110.806 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 53' ' ' SER . 25.4 tt0 -62.34 -37.97 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.286 0.565 . . . . 1.81 109.668 173.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 -11.52 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.65 110.672 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.5 t -92.43 -59.11 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.58 110.822 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -96.22 -50.26 4.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.04 111.293 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 121.064 -0.588 . . . . 1.23 112.331 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 1.59 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -78.59 -18.43 54.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.003 -0.544 . . . . 1.94 110.261 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.96 89.4 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.67 109.525 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.92 -49.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.093 -0.503 . . . . 0.88 110.609 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 p -107.97 165.79 11.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.65 110.68 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.69 -37.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.826 0.346 . . . . 0.6 110.115 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 81' ' ' ARG . . . -51.76 -44.69 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.36 111.807 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -58.67 -41.13 85.44 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.941 0.401 . . . . 2.04 111.05 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.8 tp -79.42 -40.34 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.53 110.762 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.1 81.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.38 111.176 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 5.7 ptp180 -65.46 -25.53 67.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.733 -0.212 . . . . 4.06 111.016 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.61 28.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.923 0.392 . . . . 0.59 110.563 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -75.44 -23.07 56.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.9 111.531 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.52 -17.68 50.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.345 . . . . 0.72 111.399 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.323 -0.398 . . . . 2.83 110.556 178.11 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 121.143 0.497 . . . . 2.67 110.527 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -83.48 -27.22 29.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.175 -0.466 . . . . 2.94 110.672 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -66.0 -48.76 70.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 2.67 110.546 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.01 -29.66 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.992 0.425 . . . . 1.59 110.209 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.49 -41.15 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.013 -0.54 . . . . 0.75 109.745 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.54 -31.85 73.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.68 -0.691 . . . . 1.36 110.842 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.77 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 2.62 110.063 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.46 -41.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 1.39 110.23 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 57.4 t80 -61.72 -38.81 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.651 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.71 -36.55 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.55 110.637 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.05 -43.27 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 1.37 110.947 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 11' ' ' PHE . 15.9 m -70.71 -36.37 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.66 -0.416 . . . . 1.08 110.144 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.28 -46.56 89.83 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.674 -0.491 . . . . 1.09 109.674 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -55.47 -48.36 74.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.236 -0.893 . . . . 2.01 110.129 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -63.25 -46.6 86.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 1.54 111.613 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.4 mt -58.12 -49.0 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.45 110.855 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.13 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.51 110.981 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.45 -46.56 79.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 2.35 110.718 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.83 -60.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.69 111.11 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.29 -45.9 92.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 1.67 111.458 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.31 93.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.052 -0.594 . . . . 0.94 112.96 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 1.19 111.239 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -90.01 6.26 43.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 3.21 111.114 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.18 23.76 73.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.858 -0.686 . . . . 1.22 112.727 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.13 164.78 53.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.934 -0.651 . . . . 1.1 112.015 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 137.09 41.34 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.574 2.183 . . . . 1.64 111.873 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.0 108.69 7.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 2.51 109.843 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 m -113.47 149.28 15.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.716 -0.674 . . . . 1.34 110.587 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.61 93.11 8.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.936 0.398 . . . . 0.98 110.595 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.19 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.519 . . . . 1.31 110.378 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -117.81 157.32 26.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.887 -0.597 . . . . 2.05 109.776 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -68.83 -20.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.186 0.517 . . . . 0.7 110.422 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -100.5 -5.48 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 2.28 111.616 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.5 p -86.28 156.59 20.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.925 0.393 . . . . 1.17 111.293 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HG2' HG12 ' A' ' 74' ' ' VAL . 78.3 mtp180 -86.37 138.89 31.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.828 -0.623 . . . . 3.15 109.771 176.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 90.5 m-85 -56.85 -28.81 62.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.916 -0.584 . . . . 0.54 111.212 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 m -61.03 -34.61 75.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.64 . . . . 1.63 111.214 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.32 -29.64 64.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.014 0.435 . . . . 2.2 110.791 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.99 -6.66 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 1.44 110.291 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.02 35.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.976 -0.63 . . . . 0.56 112.463 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -102.47 108.59 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.807 0.337 . . . . 1.09 110.44 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 t -89.08 -177.38 5.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.158 -0.474 . . . . 1.66 109.786 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -60.34 -41.17 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 1.55 110.529 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.72 -39.81 90.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 2.22 110.747 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.91 -45.73 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 1.11 110.033 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -36.33 82.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.513 -0.767 . . . . 1.42 111.421 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.11 75.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.63 110.403 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 m -69.51 -45.28 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.654 . . . . 0.6 110.613 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.89 -53.38 58.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.568 -0.742 . . . . 0.44 111.228 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.83 -31.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.91 -0.586 . . . . 0.72 110.874 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.7 m -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.21 110.828 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.6 m-20 -69.65 -39.91 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 1.44 110.192 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -38.89 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.756 -0.656 . . . . 1.22 110.352 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.64 -45.51 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.578 -0.737 . . . . 1.81 110.394 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.58 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 0.65 111.554 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.6 t -70.16 -39.58 77.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.58 111.264 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.18 -46.8 6.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.911 0.386 . . . . 1.04 111.398 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 111.317 -0.713 . . . . 1.23 111.317 -175.211 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.193 0.52 . . . . 1.59 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -90.88 -10.91 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.94 110.309 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -85.41 97.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.463 -0.569 . . . . 0.67 109.463 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.441 HG12 ' HG2' ' A' ' 37' ' ' ARG . 59.6 t -105.98 -60.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.057 -0.519 . . . . 0.88 110.893 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -95.18 156.66 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.099 -0.501 . . . . 0.65 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 61.3 t -63.29 -28.88 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.094 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.66 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.538 -0.755 . . . . 0.36 111.586 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.85 -40.94 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 2.04 111.103 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.0 tp -71.45 -47.01 58.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.53 110.637 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.81 96.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.007 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.53 -31.67 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 4.06 111.034 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.54 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.59 111.165 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.36 -14.41 38.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.9 110.97 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.66 -32.01 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.72 110.893 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 2.83 111.336 -178.59 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 121.181 0.515 . . . . 2.67 109.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -76.36 -28.94 57.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 2.94 110.633 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -65.62 -54.89 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 2.67 110.898 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.5 p -63.93 -36.21 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 1.59 110.653 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 tpt -64.67 -39.3 93.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.75 110.076 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.92 -40.62 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 1.36 110.312 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.61 -44.52 93.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.893 -0.594 . . . . 2.62 110.526 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' VAL . 87.0 t -66.99 -43.56 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.958 -0.565 . . . . 1.39 110.879 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HA ' HG22 ' A' ' 14' ' ' VAL . 83.7 t80 -61.63 -42.33 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.558 -0.292 . . . . 0.65 110.797 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.94 -36.56 84.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.55 110.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.59 -53.39 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.607 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.3 m -62.17 -34.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 120.538 0.208 . . . . 1.08 110.871 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.59 -44.81 95.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.094 0.473 . . . . 1.09 110.328 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 11.1 t-160 -74.57 -38.5 62.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.933 -0.576 . . . . 2.01 110.825 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.04 -45.64 92.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 1.54 110.812 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.79 -42.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.45 110.391 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.37 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.51 111.224 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 14.5 mm100 -69.55 -43.99 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 2.35 110.746 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.81 -49.22 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.441 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.43 -38.6 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 1.67 111.087 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.32 -43.6 96.67 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.963 -0.637 . . . . 0.94 112.258 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.61 70.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 1.19 110.925 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -67.69 -27.51 66.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 3.21 110.741 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.08 54.44 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.742 -0.663 . . . . 1.22 111.744 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.47 166.0 29.04 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.896 -0.668 . . . . 1.1 112.084 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.25 137.53 26.13 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.879 2.386 . . . . 1.64 111.807 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.8 pp -63.77 146.03 54.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 2.51 110.572 178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.4 164.28 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.837 0.351 . . . . 1.34 111.326 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 102.72 14.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.916 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 p -90.11 122.17 41.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 1.31 111.438 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.39 169.95 8.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.343 -0.844 . . . . 2.05 109.762 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 tp -70.36 -38.87 75.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.885 0.374 . . . . 0.7 110.753 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -91.86 14.35 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 2.28 110.853 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 t -79.2 144.15 34.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.957 0.408 . . . . 1.17 110.746 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -89.59 133.28 34.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.75 -0.659 . . . . 3.15 109.845 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 m-85 -57.93 -39.03 77.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.149 -0.932 . . . . 0.54 112.411 -173.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.0 m -69.7 -25.64 63.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.24 . . . . 1.63 111.337 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.54 -24.92 45.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.305 0.574 . . . . 2.2 109.784 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.37 -15.33 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 1.44 110.561 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.75 -6.79 25.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.698 -0.763 . . . . 0.56 112.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.74 104.18 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.189 -0.3 . . . . 1.09 110.189 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -78.03 -176.57 4.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.659 -0.497 . . . . 1.66 109.659 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.8 t -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.782 0.325 . . . . 1.55 110.886 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.49 -43.39 73.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.243 -0.435 . . . . 2.22 110.942 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.28 -44.38 95.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.317 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 tp -60.12 -44.04 95.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 1.42 110.556 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.38 86.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.13 0.49 . . . . 0.63 110.613 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -64.16 -41.97 96.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.6 110.436 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.43 -49.45 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.785 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 65.9 mt -58.54 -49.06 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.72 111.112 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.7 m -57.99 -40.22 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.318 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m-80 -72.84 -42.55 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.429 -0.351 . . . . 1.44 111.007 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.26 -40.69 96.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 1.22 110.574 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.06 -43.4 82.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.45 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.36 73.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.65 111.349 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ASN . 74.6 t -58.66 -49.23 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.58 110.746 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.79 -38.51 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 1.04 110.976 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.772 -0.728 . . . . 1.23 112.016 -179.77 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.919 0.39 . . . . 1.59 111.28 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -86.79 -9.85 54.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.231 -0.44 . . . . 1.94 110.345 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 mm -97.09 89.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.791 -0.448 . . . . 0.67 109.791 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.97 -42.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.18 -0.464 . . . . 0.88 110.547 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 p -107.36 159.64 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.14 -0.482 . . . . 0.65 110.845 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 98.8 t -54.28 -43.0 59.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.894 0.378 . . . . 0.6 110.617 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.0 58.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.446 -0.797 . . . . 0.36 112.085 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.12 -50.96 71.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.438 . . . . 2.04 110.768 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.1 -37.17 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.53 110.607 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.78 71.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.516 . . . . 0.38 111.348 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 11.7 ptm180 -68.11 -19.24 64.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.536 -0.302 . . . . 4.06 111.167 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.12 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.59 110.528 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -84.77 -22.29 29.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.9 111.084 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 81' ' ' ARG . . . -72.88 -8.24 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.72 110.674 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.554 -0.748 . . . . 2.83 110.497 176.459 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 121.115 0.483 . . . . 2.67 110.113 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 2.94 110.854 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -65.19 -50.2 66.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 2.67 110.569 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.58 -28.94 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.944 0.402 . . . . 1.59 110.223 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.6 tpt -71.78 -39.71 69.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.02 -0.536 . . . . 0.75 109.841 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -36.72 82.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.707 -0.679 . . . . 1.36 110.276 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.87 -49.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 2.62 111.648 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.51 -34.73 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.816 -0.354 . . . . 1.39 110.393 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 14' ' ' VAL . 92.3 t80 -65.96 -41.51 91.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.65 110.056 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.86 -38.57 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.55 110.576 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -66.25 -53.95 30.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.37 110.661 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 11' ' ' PHE . 33.1 m -66.11 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.638 -0.255 . . . . 1.08 111.003 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.04 -50.92 71.78 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.228 0.537 . . . . 1.09 109.885 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.47 -37.99 88.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.535 -0.757 . . . . 2.01 110.439 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.7 tp60 -61.78 -45.61 93.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 1.54 110.363 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.8 mt -62.1 -43.06 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.45 110.365 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.65 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.049 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.93 -41.68 99.55 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.386 -0.37 . . . . 2.35 110.774 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' GLN . 65.0 t -65.26 -44.96 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.69 110.437 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 89.9 mt -59.92 -44.12 94.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.67 110.416 177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.57 -37.29 94.53 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.94 112.188 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.83 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 1.19 110.958 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -74.65 -14.97 60.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 3.21 110.855 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.46 23.04 74.41 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 1.22 111.877 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.19 171.26 28.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.826 -0.702 . . . . 1.1 111.95 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.09 143.19 43.86 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.819 2.346 . . . . 1.64 111.795 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.3 109.32 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.268 -0.424 . . . . 2.51 110.07 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.81 172.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.886 -0.597 . . . . 1.34 110.831 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.42 106.34 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.352 -0.385 . . . . 0.98 110.812 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.16 115.11 42.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.39 0.614 . . . . 1.31 110.651 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' H ' ' HB2' ' A' ' 36' ' ' SER . 46.1 mt-10 -113.73 173.08 6.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.83 -0.623 . . . . 2.05 110.294 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.09 -41.01 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.871 0.323 . . . . 0.7 111.871 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.41 33.86 3.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.458 0.647 . . . . 2.28 109.927 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' HB2' ' H ' ' A' ' 33' ' ' GLU . 7.4 t -89.96 159.81 16.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.097 -0.501 . . . . 1.17 110.257 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' LEU . 60.9 mtm180 -106.99 126.12 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 3.15 110.91 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 83.9 m-85 -54.39 -36.02 63.48 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.497 -0.774 . . . . 0.54 111.185 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -56.21 -45.3 79.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 1.63 111.234 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.12 -31.13 62.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 2.2 110.715 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG . 8.0 mp -68.24 -19.77 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.641 . . . . 1.44 111.254 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 -7.57 21.39 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.679 -0.772 . . . . 0.56 111.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.57 99.48 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.919 0.39 . . . . 1.09 109.957 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -85.69 -170.68 3.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.387 -0.597 . . . . 1.66 109.387 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -54.82 -48.79 72.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.991 0.367 . . . . 1.55 111.991 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.88 -41.71 82.37 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.005 0.431 . . . . 2.22 110.962 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -42.42 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 1.11 109.95 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 52' ' ' ILE . 59.8 tp -62.56 -48.32 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.53 -0.759 . . . . 1.42 110.652 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.94 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 0.63 110.78 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.0 m -68.52 -42.94 77.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.837 -0.62 . . . . 0.6 110.399 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.44 110.67 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 48' ' ' LEU . 46.2 mm -59.26 -48.54 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.72 109.985 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -59.02 -36.48 75.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 1.21 110.942 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.44 110.789 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.03 -36.74 72.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 1.22 110.64 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -56.84 -43.07 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.916 -0.584 . . . . 1.81 109.882 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.68 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.978 -0.556 . . . . 0.65 111.651 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -74.76 -40.84 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.58 111.174 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.36 -48.96 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.971 0.36 . . . . 1.04 111.971 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.935 -0.65 . . . . 1.23 111.642 -175.134 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.956 0.408 . . . . 1.59 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -78.24 -17.67 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 1.94 110.398 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.58 87.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.374 0.607 . . . . 0.67 109.832 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 58.9 t -128.87 -45.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.838 -0.801 . . . . 0.88 108.838 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 36' ' ' SER . 21.8 m -83.15 134.76 34.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.168 -0.924 . . . . 0.65 109.111 173.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 t -58.09 -36.27 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.982 -0.554 . . . . 0.6 111.356 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -30.96 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.36 111.814 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.25 -47.4 73.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.095 0.474 . . . . 2.04 109.818 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.66 -42.53 95.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.53 110.421 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.24 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.38 110.588 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.77 -39.71 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 4.06 110.774 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.01 86.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.59 111.677 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -90.56 -10.2 44.32 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.907 -0.317 . . . . 0.9 111.745 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.08 -23.74 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.685 0.279 . . . . 0.72 110.957 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 2.83 111.158 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.838 0.351 . . . . 2.67 110.375 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -66.16 -40.83 90.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 2.94 110.573 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.35 -50.52 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.475 . . . . 2.67 110.953 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.2 p -67.43 -36.64 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.885 -0.326 . . . . 1.59 110.597 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.86 -42.45 90.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.75 110.368 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.17 -41.56 99.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.36 110.01 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -60.51 -44.32 96.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 2.62 110.504 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' ALA . 91.5 t -62.8 -51.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.932 -0.577 . . . . 1.39 110.7 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.02 -36.17 80.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.65 110.581 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.61 -43.89 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.082 0.468 . . . . 0.55 110.418 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 51.8 tp60 -70.91 -40.52 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.545 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 10' ' ' VAL . 99.8 t -61.26 -46.2 97.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.933 -0.395 . . . . 1.08 109.933 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.63 -44.78 69.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.742 -0.663 . . . . 1.09 110.5 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 56.9 t-80 -59.79 -40.8 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 2.01 110.889 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 9.3 mm100 -73.08 -34.32 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 1.54 110.623 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.2 mt -65.59 -42.16 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.853 -0.425 . . . . 0.45 109.853 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.88 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.51 110.575 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 15.2 mm-40 -54.96 -47.38 74.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.993 -0.549 . . . . 2.35 110.42 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 61.0 t -60.34 -63.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.637 . . . . 0.69 110.988 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.04 -41.46 87.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.504 -0.316 . . . . 1.67 111.325 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -48.06 79.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.952 -0.642 . . . . 0.94 112.659 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -19.81 61.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.733 0.272 . . . . 1.19 111.733 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 31.5 mmmt -76.67 -22.03 54.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.907 0.384 . . . . 3.21 110.82 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.96 18.62 77.81 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.847 -0.615 . . . . 1.22 112.035 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.18 -153.79 30.52 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.849 -0.691 . . . . 1.1 112.479 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.65 131.17 12.21 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.664 2.242 . . . . 1.64 112.029 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.07 109.97 19.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 2.51 110.542 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.91 162.23 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.915 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.98 114.54 26.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.98 110.364 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.14 125.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 1.31 111.144 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -116.65 175.45 5.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.673 -0.694 . . . . 2.05 109.833 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.97 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.936 -0.305 . . . . 0.7 111.387 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -96.44 19.21 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.776 0.287 . . . . 2.28 111.776 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -70.73 129.29 38.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.043 0.449 . . . . 1.17 111.261 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.9 mtp180 -81.26 128.39 33.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.494 -0.775 . . . . 3.15 109.098 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -57.93 -32.85 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.54 111.81 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 p -64.22 -43.22 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.6 . . . . 1.63 110.784 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.48 -22.4 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.41 -0.814 . . . . 2.2 110.47 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -78.39 -21.08 49.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.589 . . . . 1.44 110.691 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.74 13.65 15.88 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.585 -0.817 . . . . 0.56 113.074 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.42 115.0 26.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.831 0.348 . . . . 1.09 110.121 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -77.89 175.36 10.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 1.66 109.635 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -54.99 -50.77 68.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.819 0.343 . . . . 1.55 110.915 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.52 -35.5 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 2.22 110.993 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.42 -41.68 88.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.11 110.433 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.3 tp -63.25 -45.17 92.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 1.42 110.014 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.19 87.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.63 110.907 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.2 m -65.42 -42.25 92.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.6 110.075 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.3 tp -58.71 -38.89 79.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.44 110.575 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 48' ' ' LEU . 50.8 mm -58.89 -42.95 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.72 110.379 177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 t -65.51 -41.76 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 1.21 110.55 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.52 -31.71 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 1.44 111.053 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.9 -32.37 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 1.22 110.074 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.49 -38.0 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 1.81 110.283 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.76 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.65 111.68 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.9 -55.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.78 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -89.57 -20.1 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.952 0.353 . . . . 1.04 111.952 -174.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.196 0 CA-C-N 116.132 -0.486 . . . . 1.23 112.852 177.657 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.709 0.29 . . . . 1.59 111.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -80.5 -11.32 59.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.346 . . . . 1.94 110.833 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.2 mm -83.98 91.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.492 -0.559 . . . . 0.67 109.492 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 48.5 t -89.55 -52.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.199 -0.455 . . . . 0.88 110.577 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -103.47 160.23 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.231 -0.44 . . . . 0.65 110.844 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.4 -31.39 53.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.045 0.45 . . . . 0.6 110.088 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.52 -48.03 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.36 112.006 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.045 0.45 . . . . 2.04 110.793 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.84 -40.33 72.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.53 110.579 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.53 98.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.38 110.765 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 52.8 mtp180 -57.15 -41.49 79.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.156 -0.475 . . . . 4.06 110.933 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.21 82.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.59 111.131 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -81.45 -9.39 59.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.9 111.818 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HA ' HG21 ' A' ' 10' ' ' VAL . . . -78.2 -37.92 44.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.911 0.386 . . . . 0.72 110.472 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.075 -0.511 . . . . 2.83 110.094 178.096 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.2 t30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.076 0.465 . . . . 2.67 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -77.46 -37.54 51.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 2.94 110.235 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.22 -44.97 95.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 2.67 111.122 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.35 -33.76 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 1.59 110.789 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tpt -66.71 -43.87 83.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.75 110.077 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.39 -29.99 67.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.714 -0.675 . . . . 1.36 110.488 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.35 -53.27 51.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.822 -0.627 . . . . 2.62 110.572 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.0 -30.82 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.407 -0.36 . . . . 1.39 110.78 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.416 ' HA ' HG22 ' A' ' 14' ' ' VAL . 70.6 t80 -64.87 -40.73 95.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.985 0.422 . . . . 0.65 110.236 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.33 -39.1 91.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.106 0.479 . . . . 0.55 110.277 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.54 -50.82 61.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 1.37 110.835 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.3 m -62.91 -33.31 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.098 0 C-N-CA 121.229 -0.188 . . . . 1.08 110.824 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.03 -49.99 75.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 1.09 109.888 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -63.03 -40.55 98.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.695 -0.684 . . . . 2.01 110.355 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.2 mm100 -57.44 -53.45 57.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 1.54 110.658 176.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.1 mt -58.92 -44.17 90.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.45 110.71 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.93 93.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.51 111.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.09 -37.86 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.632 -0.258 . . . . 2.35 111.233 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 17' ' ' GLN . 73.3 t -62.0 -49.55 83.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.811 0.339 . . . . 0.69 110.573 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 1.67 110.43 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -42.75 97.24 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 116.019 -0.537 . . . . 0.94 112.586 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.095 0.474 . . . . 1.19 110.523 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -72.82 -24.59 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 3.21 110.529 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.06 24.34 55.23 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.242 -0.743 . . . . 1.22 111.242 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.56 176.92 40.27 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.611 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.86 124.51 12.38 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.02 2.48 . . . . 1.64 112.32 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.67 109.15 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.127 -0.488 . . . . 2.51 110.218 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.67 152.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 1.34 111.277 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 97.28 7.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.98 109.925 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.89 128.89 38.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.898 -0.592 . . . . 1.31 111.24 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -115.69 172.57 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.508 . . . . 2.05 110.181 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.884 0.374 . . . . 0.7 111.922 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -100.95 18.2 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.633 -0.258 . . . . 2.28 111.481 -173.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 m -78.56 141.0 38.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.765 0.317 . . . . 1.17 111.069 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 98.5 mtt180 -91.68 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 3.15 109.927 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -62.84 -28.65 70.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.54 111.933 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -59.98 -45.68 91.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 1.63 110.712 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.3 -10.92 59.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.667 -0.697 . . . . 2.2 110.852 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 93.7 mt -88.02 -6.51 57.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.118 -0.492 . . . . 1.44 110.868 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.26 37.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.619 -0.801 . . . . 0.56 112.961 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 47' ' ' ASP . 2.7 mm? -96.89 127.55 42.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.059 -0.349 . . . . 1.09 110.059 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -93.14 -173.27 3.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.127 -0.323 . . . . 1.66 110.127 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -54.46 -51.29 65.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.053 0.39 . . . . 1.55 112.053 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.61 -39.71 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.528 0.204 . . . . 2.22 110.744 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HB3' HD12 ' A' ' 43' ' ' LEU . 17.3 m-20 -59.92 -42.5 94.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.11 110.447 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 52' ' ' ILE . 7.3 tt -58.34 -50.47 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 1.42 109.896 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.65 97.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.63 110.809 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.7 m -62.73 -39.78 95.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.6 110.621 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.88 -44.16 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.44 110.398 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 48' ' ' LEU . 46.2 mt -65.33 -43.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.516 . . . . 0.72 110.096 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -56.08 -41.74 75.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 1.21 110.563 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.4 m-20 -68.46 -38.09 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.44 110.926 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.19 -35.68 71.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 1.22 110.681 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.04 -34.9 74.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 1.81 110.35 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.56 60.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.65 111.267 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.9 t -76.65 -50.98 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.58 110.992 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -87.0 -37.2 17.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.96 0.356 . . . . 1.04 111.96 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 111.243 -0.743 . . . . 1.23 111.243 -174.09 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.799 0.333 . . . . 1.59 111.572 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -76.3 -26.42 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 1.94 110.334 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mm -83.59 93.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.934 -0.575 . . . . 0.67 110.02 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.09 -53.34 7.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.511 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.8 p -107.5 168.06 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 0.65 111.142 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.03 -39.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.977 0.418 . . . . 0.6 110.188 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.2 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.36 111.645 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.32 -41.85 89.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 2.04 110.866 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.56 -43.22 49.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.53 110.347 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.67 98.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.38 111.05 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 81' ' ' ARG . 39.8 ttp180 -56.51 -39.15 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 4.06 111.462 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.59 111.421 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -90.35 -12.16 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.33 -0.395 . . . . 0.9 111.256 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.57 -39.46 37.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.72 110.044 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 2.83 110.831 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 7' ' ' MET . 50.2 m-80 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.772 0.32 . . . . 2.67 110.432 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -79.6 -33.64 41.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 2.94 110.244 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -63.32 -53.19 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 2.67 110.732 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 12.0 p -65.78 -27.39 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 1.59 110.484 178.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 12.4 tpt -74.21 -34.19 63.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.75 110.46 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.74 -29.14 58.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.52 . . . . 1.36 109.705 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 41.3 tt0 -58.41 -56.87 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.499 -0.773 . . . . 2.62 110.411 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -31.19 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.19 -0.459 . . . . 1.39 110.626 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.3 . . . . 0.65 110.811 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.35 -36.93 81.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 0.55 109.982 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.515 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.7 tp-100 -62.45 -55.15 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 1.37 110.793 177.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.3 m -67.8 -33.62 62.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.612 -0.267 . . . . 1.08 111.355 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.14 -46.99 87.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.922 0.392 . . . . 1.09 110.096 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -62.7 -39.2 93.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.769 -0.65 . . . . 2.01 110.199 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 21' ' ' VAL . 88.2 mm-40 -66.54 -44.73 81.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 14' ' ' VAL . 82.6 mt -62.49 -46.39 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.45 110.416 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.21 -32.84 73.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.51 110.84 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -68.05 -48.97 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 2.35 110.543 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.5 t -58.19 -47.59 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.69 110.799 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.26 -44.56 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.67 110.772 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -38.1 89.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.158 -0.544 . . . . 0.94 112.647 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.33 77.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.043 0.449 . . . . 1.19 110.715 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.83 -40.51 63.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.011 -0.54 . . . . 3.21 109.773 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 15.75 7.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.919 -0.658 . . . . 1.22 112.412 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.04 172.91 29.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.87 -0.681 . . . . 1.1 112.067 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.04 146.55 41.6 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.615 2.21 . . . . 1.64 111.74 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.46 107.97 9.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.1 0.476 . . . . 2.51 109.988 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -79.49 150.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.56 -0.745 . . . . 1.34 110.126 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.94 108.16 3.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.98 110.214 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.49 119.8 26.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.032 -0.531 . . . . 1.31 110.654 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 31.3 mt-10 -120.38 145.37 47.24 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.858 -0.793 . . . . 2.05 108.858 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -71.87 -24.0 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 0.7 111.694 -171.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -98.85 5.75 47.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.575 . . . . 2.28 110.153 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 34.3 t -83.94 160.95 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.012 -0.54 . . . . 1.17 110.181 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 37' ' ' ARG . 46.9 mtm180 -103.55 140.76 37.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.006 -0.543 . . . . 3.15 110.111 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 96.3 m-85 -61.53 -41.54 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.54 111.283 -176.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 21.0 t -69.66 -22.2 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.263 -0.426 . . . . 1.63 110.415 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.7 -33.99 34.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.103 0.478 . . . . 2.2 110.181 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.58 -18.66 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.664 -0.698 . . . . 1.44 111.07 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.98 3.8 17.33 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.631 -0.795 . . . . 0.56 112.661 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.0 mm? -87.04 115.2 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.31 -0.626 . . . . 1.09 109.31 176.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 t -76.49 -177.91 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.925 -0.398 . . . . 1.66 109.925 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -52.38 -51.23 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.393 -0.367 . . . . 1.55 111.551 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.66 -41.71 87.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 2.22 110.625 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 43' ' ' LEU . 67.7 m-20 -59.54 -41.28 89.71 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.978 -0.555 . . . . 1.11 110.509 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.8 tt -59.63 -49.08 79.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.762 -0.653 . . . . 1.42 109.881 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.63 111.239 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.2 m -65.8 -38.63 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.653 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.03 -40.0 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.44 110.282 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' LEU . 60.1 mt -58.94 -45.96 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.72 110.099 175.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 t -64.85 -22.79 67.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 1.21 111.009 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 58' ' ' VAL . 11.9 m120 -67.38 -47.01 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.189 -0.301 . . . . 1.44 110.189 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.14 -34.04 76.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.345 . . . . 1.22 110.249 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.04 -49.2 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.759 -0.655 . . . . 1.81 110.366 172.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.65 111.337 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.1 t -60.04 -56.84 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.58 111.417 -179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 83' ' ' TYR . 94.5 m-85 -80.39 -15.04 57.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 1.04 111.631 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 110.872 -0.891 . . . . 1.23 110.872 -176.264 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 111.976 0.361 . . . . 1.59 111.976 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -79.17 -15.38 58.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 1.94 111.1 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.04 89.67 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.142 0.496 . . . . 0.67 109.697 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.0 -60.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.88 110.794 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -111.27 170.62 7.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.227 -0.442 . . . . 0.65 111.522 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 t -61.36 -40.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.576 -0.284 . . . . 0.6 110.859 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.44 56.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.36 112.209 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.06 -53.82 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 2.04 110.387 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.7 tp -69.77 -33.43 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.681 -0.691 . . . . 0.53 110.751 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.4 -51.89 65.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.38 111.004 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -62.27 -32.74 73.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.854 0.359 . . . . 4.06 110.719 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.98 15.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.59 111.042 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 38.5 m-85 -79.58 -9.53 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.097 0.406 . . . . 0.9 112.097 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.56 61.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.72 110.236 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.958 -0.564 . . . . 2.83 111.246 179.134 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.008 0.432 . . . . 2.67 110.047 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -64.66 -42.5 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 2.94 111.156 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -61.04 -47.5 86.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 2.67 111.349 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.68 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 1.59 110.418 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.8 tpt -69.92 -43.57 71.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.75 110.187 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.89 -28.58 69.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.174 0.511 . . . . 1.36 110.214 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -69.12 -50.42 48.21 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.803 -0.635 . . . . 2.62 110.681 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.46 -35.96 64.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 1.39 110.696 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 80.7 t80 -61.74 -42.01 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.65 110.143 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.99 -42.5 90.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.55 110.558 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.87 -48.24 59.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 1.37 111.152 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -63.89 -37.49 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.718 -0.393 . . . . 1.08 110.737 -178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.53 -43.01 98.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.283 0.564 . . . . 1.09 109.606 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -57.45 -38.58 74.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.078 -0.964 . . . . 2.01 110.744 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.5 mm100 -72.34 -43.5 64.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.391 -0.368 . . . . 1.54 110.689 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 14' ' ' VAL . 88.6 mt -59.88 -44.29 93.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.353 -0.385 . . . . 0.45 110.561 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.51 111.204 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.29 -42.71 83.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 2.35 111.148 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.9 t -63.98 -48.32 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.69 110.685 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.71 -44.06 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 1.67 110.527 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.81 99.64 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.454 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -28.34 67.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 1.19 111.353 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -89.21 -12.71 40.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.297 . . . . 3.21 111.393 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.52 34.11 32.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.782 -0.723 . . . . 1.22 111.721 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 164.16 29.35 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.175 -0.536 . . . . 1.1 112.017 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.82 144.47 24.53 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.642 2.228 . . . . 1.64 112.508 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 109.5 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.422 -0.585 . . . . 2.51 109.422 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG21 ' HG ' ' A' ' 41' ' ' LEU . 27.6 m -110.29 165.06 6.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.789 -0.641 . . . . 1.34 111.1 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.62 89.21 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.102 -0.499 . . . . 0.98 110.261 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.92 114.27 21.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.924 -0.58 . . . . 1.31 111.326 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -105.34 173.68 6.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 2.05 110.036 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.8 tp -66.77 -36.39 77.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.838 0.351 . . . . 0.7 111.336 -176.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -91.26 11.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.691 0.281 . . . . 2.28 111.566 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -80.12 133.0 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.988 0.423 . . . . 1.17 111.229 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 68.3 mtm180 -79.96 136.15 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 3.15 109.687 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 63.2 m-85 -60.78 -27.09 67.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.54 111.371 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -59.82 -45.44 92.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 1.63 110.951 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 31.3 m-20 -67.28 -36.53 81.76 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.91 0.386 . . . . 2.2 111.075 -175.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 30' ' ' VAL . 10.7 mp -75.27 -21.3 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.44 111.737 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.02 31.94 3.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.401 -0.904 . . . . 0.56 112.64 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.0 mm? -113.79 123.56 50.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.763 -0.458 . . . . 1.09 109.763 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.4 p -99.8 -172.56 2.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.859 -0.423 . . . . 1.66 109.859 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -60.82 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 1.55 110.485 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.9 -38.89 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 2.22 110.583 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.547 ' HB3' HD12 ' A' ' 43' ' ' LEU . 15.6 m-20 -63.96 -44.59 92.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.11 109.887 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.3 -40.38 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.835 -0.62 . . . . 1.42 110.843 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.26 83.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.63 110.276 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -66.45 -42.76 87.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.298 -0.41 . . . . 0.6 110.563 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -58.22 -51.73 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.44 111.278 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -36.46 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.39 . . . . 0.72 110.791 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -62.04 -39.66 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.434 . . . . 1.21 110.471 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.9 m-20 -65.49 -41.15 93.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 1.44 110.519 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 1.22 110.397 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.08 -47.55 80.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.105 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -10.86 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.65 111.611 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ASN . 88.9 t -80.48 -55.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.494 -0.321 . . . . 0.58 110.652 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -92.86 -26.81 17.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 1.04 111.978 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.836 -0.697 . . . . 1.23 111.482 -175.009 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.22 0.533 . . . . 1.59 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -85.57 -9.71 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 1.94 110.223 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm -83.49 89.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.654 -0.498 . . . . 0.67 109.654 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -88.11 -59.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.625 . . . . 0.88 110.772 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 p -110.68 170.11 8.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.65 111.015 -177.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.6 109.67 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -51.3 -45.34 62.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.276 -0.875 . . . . 0.36 111.728 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -60.04 -44.72 94.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 2.04 111.091 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.7 tp -76.56 -43.82 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.53 111.02 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.28 80.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.38 111.107 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -64.57 -38.37 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 4.06 110.323 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.97 51.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.59 110.975 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -74.08 -10.58 59.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.792 0.293 . . . . 0.9 111.792 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.49 31.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.187 0.517 . . . . 0.72 110.213 174.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 2.83 110.779 178.838 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.174 0.512 . . . . 2.67 109.934 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -68.09 -33.77 75.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 2.94 110.481 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 58.1 tp60 -61.94 -57.36 12.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 2.67 110.834 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.43 -31.03 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 1.59 110.623 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.429 ' HA ' HG12 ' A' ' 10' ' ' VAL . 12.7 tpt -73.41 -36.91 66.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.75 110.765 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.68 -35.17 74.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.471 . . . . 1.36 109.753 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 15.7 mm100 -66.25 -48.97 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.714 . . . . 2.62 111.165 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 84' ' ' ALA . 10.3 p -68.16 -34.73 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 110.374 -0.232 . . . . 1.39 110.374 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HA ' HG22 ' A' ' 14' ' ' VAL . 93.5 t80 -60.54 -43.62 96.99 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.006 0.431 . . . . 0.65 110.015 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -38.69 76.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.701 . . . . 0.55 110.798 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.2 tp-100 -72.65 -50.8 22.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 1.37 110.87 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 11' ' ' PHE . 31.1 m -65.08 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.633 -0.258 . . . . 1.08 110.83 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.27 -46.07 83.45 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.111 0.481 . . . . 1.09 109.991 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 20.5 t-80 -61.82 -39.87 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 2.01 110.083 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 63.4 mm-40 -65.91 -47.16 75.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.54 110.307 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.6 mt -59.87 -44.85 95.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.142 -0.481 . . . . 0.45 110.516 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.07 80.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 0.51 111.122 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 56.3 mt-30 -68.14 -40.84 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 2.35 110.78 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.1 t -64.08 -50.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.69 110.604 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.53 -42.62 96.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.67 110.507 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.51 -44.28 96.86 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.597 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.52 75.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.743 0.275 . . . . 1.19 111.743 -177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -78.83 -19.02 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 3.21 111.001 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.04 48.25 3.39 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.745 -0.74 . . . . 1.22 111.962 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.08 160.23 14.23 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.676 -0.57 . . . . 1.1 111.676 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.8 138.07 33.74 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.544 2.163 . . . . 1.64 112.436 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.1 109.58 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.882 -0.599 . . . . 2.51 109.48 177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 m -103.2 171.99 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.034 -0.53 . . . . 1.34 111.348 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.11 92.77 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 0.98 110.87 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.32 130.98 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 1.31 110.985 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -118.78 177.77 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 2.05 110.399 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.1 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.891 0.377 . . . . 0.7 111.092 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -103.78 32.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 2.28 110.909 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.8 m -88.79 138.67 31.21 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.088 -0.382 . . . . 1.17 110.156 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 66.6 mtm180 -90.85 135.66 33.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.072 0.463 . . . . 3.15 109.785 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 88.7 m-85 -58.64 -42.35 88.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.54 111.463 -175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 37.7 m -61.33 -33.31 73.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.899 0.38 . . . . 1.63 110.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.07 -27.43 57.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 2.2 110.485 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 90.2 mt -76.78 -7.69 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 1.44 111.057 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.33 21.33 15.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.56 111.861 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' SER . 42.9 mt -107.36 125.97 51.88 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.072 -0.344 . . . . 1.09 110.072 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.7 p -97.65 -172.93 2.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.858 -0.423 . . . . 1.66 109.858 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -35.46 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.061 0.458 . . . . 1.55 109.863 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.5 mp -64.31 -44.74 90.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.766 -0.652 . . . . 2.22 110.037 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB3' HD22 ' A' ' 43' ' ' LEU . 9.3 m-20 -62.49 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.226 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.85 -43.34 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.42 110.777 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.632 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 m -71.34 -47.18 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.147 -0.479 . . . . 0.6 110.637 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.3 tp -58.35 -50.38 73.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.44 111.702 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.36 -43.11 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.549 -0.296 . . . . 0.72 110.812 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.2 m -68.24 -29.49 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.175 0.512 . . . . 1.21 110.776 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -71.49 -45.76 61.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 1.44 110.145 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -31.64 72.73 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 1.22 110.036 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -61.66 -32.15 72.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 1.81 110.714 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.96 -18.99 60.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.824 0.345 . . . . 0.65 110.712 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.52 -59.81 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.58 111.17 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -89.07 -50.13 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 1.04 111.477 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.845 -0.616 . . . . 1.23 113.239 177.85 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 112.024 0.379 . . . . 1.59 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.9 p -79.47 -25.83 41.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.078 0.466 . . . . 1.94 110.234 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.81 89.37 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.376 -0.601 . . . . 0.67 109.376 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.88 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.012 -0.54 . . . . 0.88 111.209 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -106.42 165.82 10.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.091 -0.504 . . . . 0.65 111.039 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 81.5 t -54.87 -39.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.053 0.454 . . . . 0.6 110.269 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 81' ' ' ARG . . . -54.95 -36.63 65.52 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.341 -0.845 . . . . 0.36 111.789 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -65.69 -45.32 83.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 2.04 111.261 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.37 -42.72 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.921 0.391 . . . . 0.53 110.664 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 -34.9 78.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.38 110.965 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 45.0 ttm180 -56.06 -42.45 76.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.82 -0.627 . . . . 4.06 111.265 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.55 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.59 111.059 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -77.55 -19.22 56.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.127 -0.488 . . . . 0.9 111.303 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -72.59 -25.31 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.72 110.836 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 29.8 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.794 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.892 0.377 . . . . 2.67 110.209 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -68.21 -37.69 81.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 2.94 110.168 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -57.1 -50.59 72.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.846 0.355 . . . . 2.67 110.413 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.33 -43.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 1.59 110.879 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -42.31 78.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.75 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.07 -31.99 72.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.121 0.486 . . . . 1.36 110.071 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.15 -45.57 91.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.546 -0.752 . . . . 2.62 110.963 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.6 p -75.01 -42.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.641 -0.254 . . . . 1.39 110.625 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.25 -43.49 87.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.54 -0.3 . . . . 0.65 111.28 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.14 -42.67 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.55 111.168 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.1 tp60 -68.1 -40.72 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 1.37 110.183 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 10' ' ' VAL . 60.9 t -59.41 -51.81 68.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 1.08 110.48 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.22 -38.75 84.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.02 -0.536 . . . . 1.09 110.478 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -58.75 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 2.01 110.378 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.544 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.2 mm100 -69.9 -43.04 72.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 1.54 110.438 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 74.1 mt -58.8 -44.09 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.916 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.42 90.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.51 110.886 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.35 -41.18 96.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 2.35 110.153 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 17' ' ' GLN . 61.7 t -62.95 -48.19 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.69 110.624 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 95.0 mt -57.36 -45.64 84.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.964 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.92 78.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.109 -0.567 . . . . 0.94 112.748 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.85 -40.26 22.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.329 . . . . 1.19 110.767 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.76 -38.85 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 3.21 110.952 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 12.15 65.0 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.577 -0.738 . . . . 1.22 111.35 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.85 -179.28 52.9 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.28 -0.486 . . . . 1.1 112.515 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.04 141.3 63.45 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.942 2.428 . . . . 1.64 112.073 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.288 -0.634 . . . . 2.51 109.288 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.03 152.58 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.759 -0.655 . . . . 1.34 111.213 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.05 103.32 15.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.98 109.918 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -77.51 130.04 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 1.31 110.438 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.13 175.28 6.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.496 -0.557 . . . . 2.05 109.496 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.5 tp -79.99 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.459 -0.571 . . . . 0.7 109.459 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -98.53 -0.31 43.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 2.28 111.665 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.1 p -73.72 144.64 45.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 1.17 110.744 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -89.69 144.49 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 3.15 109.812 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.08 -38.64 88.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.772 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -66.94 -27.88 67.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 1.63 110.156 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.2 -37.67 66.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 2.2 109.698 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.06 -20.63 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.605 -0.725 . . . . 1.44 110.968 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 21.04 8.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.792 -0.718 . . . . 0.56 113.029 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' OD2' ' A' ' 47' ' ' ASP . 3.0 mm? -108.92 106.96 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 1.09 110.123 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -80.21 173.26 12.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.156 -0.475 . . . . 1.66 110.487 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -52.14 -47.17 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.506 0.558 . . . . 1.55 112.506 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.44 -43.49 98.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 2.22 111.042 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 43' ' ' LEU . 6.3 t70 -77.98 -30.51 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.747 -0.381 . . . . 1.11 110.097 -177.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.1 tt -62.89 -46.43 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.202 -0.666 . . . . 1.42 109.202 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.98 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.98 -0.555 . . . . 0.63 110.439 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.5 m -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.586 -0.734 . . . . 0.6 110.409 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.72 -48.65 80.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.3 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 59.5 mt -58.69 -46.05 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.72 110.68 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.3 t -61.8 -41.88 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.21 111.349 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.1 m-20 -71.26 -41.03 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.488 -0.324 . . . . 1.44 111.087 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.73 -35.85 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.357 0.599 . . . . 1.22 110.133 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.83 -42.31 84.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.336 -0.847 . . . . 1.81 110.245 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.44 -12.71 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.834 -0.621 . . . . 0.65 111.484 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.3 t -76.35 -43.49 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.803 0.335 . . . . 0.58 110.133 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -90.83 -34.28 15.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 1.04 111.685 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 111.39 -0.684 . . . . 1.23 111.39 -176.603 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.145 0.424 . . . . 1.59 112.145 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -84.98 -8.84 58.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.39 . . . . 1.94 110.911 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mm -97.65 99.19 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.67 110.21 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.93 -52.22 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.303 0.573 . . . . 0.88 110.465 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -100.47 153.29 19.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.691 -0.686 . . . . 0.65 110.953 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.26 -33.31 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.6 110.778 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -56.33 -37.3 69.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.814 -0.63 . . . . 0.36 111.737 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 8.6 t70 -72.34 -45.39 60.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 2.04 110.367 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.51 -47.46 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.53 110.699 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.43 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.959 -0.564 . . . . 0.38 110.236 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 31.7 ttp85 -57.51 -51.11 70.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.56 . . . . 4.06 110.94 175.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.65 78.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.614 -0.721 . . . . 0.59 111.447 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -79.19 -29.26 42.82 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.663 0.246 . . . . 0.9 111.663 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.79 75.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.72 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 20.1 pt20 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 2.83 111.105 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.988 0.423 . . . . 2.67 110.182 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -64.58 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.448 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.84 -51.45 64.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.707 -0.224 . . . . 2.67 111.298 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.09 -34.63 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.279 . . . . 1.59 110.689 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -74.78 -30.09 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.149 0.499 . . . . 0.75 110.297 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.2 -44.56 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.085 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -60.39 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 2.62 111.026 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.87 -36.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.577 -0.283 . . . . 1.39 110.773 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.428 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.0 t80 -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.633 -0.258 . . . . 0.65 110.82 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.08 -34.73 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.502 . . . . 0.55 110.486 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.17 -54.42 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.807 -0.633 . . . . 1.37 110.504 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 11' ' ' PHE . 22.9 m -60.53 -32.77 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 1.08 110.702 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.56 -43.32 89.34 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.226 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 22.6 t60 -59.97 -50.27 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 2.01 110.142 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 mp0 -57.96 -46.53 84.98 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.17 0.294 . . . . 1.54 111.015 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.64 -45.84 93.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.833 0.349 . . . . 0.45 110.821 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.26 -33.45 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.51 111.011 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 30.8 mm-40 -67.51 -45.04 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 2.35 110.418 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.4 t -60.4 -53.01 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.69 111.116 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.76 -39.98 95.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.961 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.34 74.07 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.967 -0.635 . . . . 0.94 112.474 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.44 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 1.19 110.919 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -78.76 -24.29 44.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 3.21 110.489 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.89 21.4 33.62 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.665 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.41 173.98 23.49 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.795 -0.717 . . . . 1.1 112.143 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.12 154.37 41.91 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.665 2.244 . . . . 1.64 112.086 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.33 109.76 20.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.233 -0.44 . . . . 2.51 110.053 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.06 148.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 102.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.98 111.292 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.23 111.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 1.31 110.149 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.98 148.06 50.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 2.05 109.86 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -67.22 -25.31 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 0.7 111.577 -173.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -91.36 -10.22 41.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.269 0.557 . . . . 2.28 110.422 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -69.07 140.85 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.51 . . . . 1.17 110.544 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 74' ' ' VAL . 10.2 mpt_? -83.37 145.92 28.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.658 -0.701 . . . . 3.15 109.669 177.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -56.71 -52.27 65.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.976 0.362 . . . . 0.54 111.976 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 p -61.37 -40.53 94.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.856 0.36 . . . . 1.63 111.173 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.26 -31.04 71.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 2.2 110.466 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.65 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.44 111.191 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.12 -4.73 23.78 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.459 -0.876 . . . . 0.56 112.952 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -98.2 107.14 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.09 110.615 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 t -78.68 -176.22 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.485 -0.561 . . . . 1.66 109.485 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 m -57.85 -43.78 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.85 0.357 . . . . 1.55 110.974 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.81 -37.46 86.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.151 0.5 . . . . 2.22 110.748 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.83 -39.14 69.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 1.11 110.26 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 52' ' ' ILE . 3.7 tt -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.679 -0.692 . . . . 1.42 109.535 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.66 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.63 110.919 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -66.23 -35.72 81.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.107 0.48 . . . . 0.6 110.623 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.48 -38.66 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.44 110.175 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.9 mm -55.97 -52.76 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.72 110.583 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 m -60.71 -34.8 74.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.216 -0.447 . . . . 1.21 111.454 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -72.92 -44.86 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.44 111.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.76 -31.34 68.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 1.22 110.351 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.14 -35.9 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.511 -0.768 . . . . 1.81 110.517 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.0 -17.97 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.65 111.559 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.5 t -83.48 -45.94 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.043 0.449 . . . . 0.58 110.87 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -89.18 -36.45 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.271 -0.422 . . . . 1.04 111.556 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.069 -0.813 . . . . 1.23 111.069 -175.015 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.89 0.376 . . . . 1.59 111.362 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -90.74 -2.88 57.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 1.94 110.913 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mm -79.73 89.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.706 -0.85 . . . . 0.67 108.706 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 37' ' ' ARG . 48.1 t -103.09 -57.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.502 -0.772 . . . . 0.88 111.012 -173.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 76.6 p -102.02 162.38 12.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.63 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.78 -37.85 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.6 110.127 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.12 66.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.46 -0.791 . . . . 0.36 112.105 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -63.97 -43.85 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 2.04 110.981 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.2 tp -80.18 -44.2 20.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.495 . . . . 0.53 110.718 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.02 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.38 111.162 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -60.11 -36.51 77.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 4.06 111.037 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.19 83.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.59 110.624 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -78.42 -20.19 51.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.9 111.263 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.73 -22.11 64.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.239 0.543 . . . . 0.72 110.029 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.65 -0.704 . . . . 2.83 110.85 178.284 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 2.67 109.987 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -66.55 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 2.94 110.582 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.44 -49.75 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 2.67 110.434 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.21 -40.51 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 1.59 110.507 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.5 tpp -62.75 -46.07 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.75 111.036 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.17 -36.02 82.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.169 0.509 . . . . 1.36 110.165 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -66.11 -52.39 49.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.4 -0.818 . . . . 2.62 111.065 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 p -65.0 -38.12 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.29 . . . . 1.39 110.459 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.24 -40.71 86.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.184 -0.462 . . . . 0.65 110.897 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.55 110.559 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 5.8 tp-100 -68.09 -43.09 79.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 1.37 110.457 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 10' ' ' VAL . 98.5 t -58.26 -46.83 88.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.435 -0.348 . . . . 1.08 110.764 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -57.48 -45.31 85.0 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.96 0.41 . . . . 1.09 109.994 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.48 -37.42 83.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.704 . . . . 2.01 110.679 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 31.2 mm-40 -70.43 -39.85 74.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.583 -0.28 . . . . 1.54 110.536 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 72.4 mt -65.71 -45.15 92.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.45 110.302 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.46 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.51 110.639 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.45 -49.79 74.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.35 110.295 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 17' ' ' GLN . 92.0 t -59.41 -47.68 89.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.253 -0.43 . . . . 0.69 110.94 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.5 -42.8 98.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.667 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -35.85 86.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.95 -0.643 . . . . 0.94 112.208 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.2 65.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.651 0.262 . . . . 1.19 111.417 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -91.85 -15.23 28.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.0 0.429 . . . . 3.21 110.661 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.83 30.27 18.42 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.861 -0.608 . . . . 1.22 112.586 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.17 157.63 14.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.774 -0.727 . . . . 1.1 112.12 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.34 143.12 75.54 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 1.64 111.865 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.73 138.73 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.132 0.491 . . . . 2.51 110.715 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.94 167.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 1.34 110.577 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.85 98.87 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.13 -0.487 . . . . 0.98 110.364 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.98 118.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.113 -0.494 . . . . 1.31 110.216 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.77 172.75 6.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.559 -0.534 . . . . 2.05 109.559 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 tp -83.08 -31.21 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.7 110.331 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.0 6.25 43.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.341 -0.39 . . . . 2.28 111.683 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -84.35 148.85 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.754 0.312 . . . . 1.17 110.844 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 69.8 mtt180 -85.27 141.79 29.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.206 -0.665 . . . . 3.15 109.206 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 70.1 m-85 -61.61 -30.18 70.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.913 -0.403 . . . . 0.54 109.913 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -61.28 -51.53 68.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.712 . . . . 1.63 111.33 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.81 -20.23 53.59 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.887 -0.325 . . . . 2.2 110.974 -175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 91.2 mt -71.46 -20.35 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 1.44 110.152 173.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 4.09 28.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.92 -0.657 . . . . 0.56 113.299 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.2 mm? -83.49 112.59 20.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.89 0.345 . . . . 1.09 110.124 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -83.81 -173.1 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.367 -0.379 . . . . 1.66 110.602 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.3 m -55.65 -50.66 69.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.767 0.318 . . . . 1.55 111.785 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.7 tp -66.56 -43.28 85.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 2.22 110.55 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 43' ' ' LEU . 11.4 m-20 -60.95 -44.42 97.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 1.11 110.752 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' O ' HG12 ' A' ' 52' ' ' ILE . 8.2 tt -61.71 -45.13 95.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 1.42 109.819 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.94 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.63 110.735 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -59.91 -42.32 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.6 109.923 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.5 -44.32 97.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.566 -0.743 . . . . 0.44 110.7 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 48' ' ' LEU . 44.9 mm -57.31 -46.19 85.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.067 0.46 . . . . 0.72 110.221 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -63.11 -37.73 88.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.343 -0.844 . . . . 1.21 110.834 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 97.3 m-20 -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.539 -0.3 . . . . 1.44 110.896 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.0 mm? -65.46 -29.5 70.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.74 0.305 . . . . 1.22 110.818 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.15 -38.85 86.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 1.81 110.048 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.59 71.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.431 . . . . 0.65 110.675 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 13' ' ' GLN . 88.1 t -76.43 -64.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.58 111.414 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -103.42 -50.8 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 1.04 111.617 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.866 -0.683 . . . . 1.23 112.37 -179.724 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 112.162 0.431 . . . . 1.59 112.162 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 p -77.23 -18.97 57.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.325 0.583 . . . . 1.94 109.929 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.38 89.59 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.842 -0.617 . . . . 0.67 109.972 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.78 -53.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.325 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 40.7 p -105.08 167.62 9.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.65 110.885 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 86.3 t -59.58 -39.82 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.753 0.311 . . . . 0.6 110.547 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.615 . . . . 0.36 111.774 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.13 -43.46 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 2.04 110.762 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 tp -73.21 -39.94 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.53 110.293 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.54 93.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.38 111.049 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 48.1 mtm105 -56.16 -39.07 71.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.569 -0.287 . . . . 4.06 111.406 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.11 -60.02 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.59 111.233 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.3 -9.36 59.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.384 . . . . 0.9 111.824 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -77.69 -51.19 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.828 -0.434 . . . . 0.72 109.828 172.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 2.83 110.771 -178.094 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.251 0.548 . . . . 2.67 109.576 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -65.43 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.675 -0.693 . . . . 2.94 109.69 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 47.2 tt0 -66.6 -45.28 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 2.67 110.541 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.09 -48.05 85.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.232 0.539 . . . . 1.59 110.34 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.59 -31.49 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.75 110.365 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.87 -39.29 93.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.36 110.335 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 90.8 mm-40 -63.24 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 2.62 111.248 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.6 -33.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.86 -0.336 . . . . 1.39 110.576 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 14' ' ' VAL . 64.4 t80 -65.19 -39.54 93.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.98 0.419 . . . . 0.65 110.254 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.9 -38.02 89.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.55 110.495 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.47 -44.02 58.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 1.37 111.153 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 11' ' ' PHE . 26.9 m -64.78 -38.93 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.499 -0.48 . . . . 1.08 110.106 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.41 -48.04 83.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.177 0.513 . . . . 1.09 109.922 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.3 t-80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.132 -0.94 . . . . 2.01 111.016 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.31 -40.61 90.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 1.54 111.028 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.58 -47.43 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.74 0.305 . . . . 0.45 110.319 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.74 76.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.002 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.0 mm-40 -63.2 -47.84 80.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 2.35 110.601 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.54 -46.34 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.69 110.898 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.41 -38.14 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.39 -0.368 . . . . 1.67 111.043 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.44 -44.56 95.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.004 -0.617 . . . . 0.94 112.106 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.77 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 1.19 110.853 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.1 -29.64 49.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 3.21 110.328 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.55 11.55 68.49 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.427 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.97 162.66 32.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.012 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.98 123.51 13.37 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.891 2.394 . . . . 1.64 112.751 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.58 110.2 6.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.966 -0.561 . . . . 2.51 109.854 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.85 154.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 1.34 110.807 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 122.21 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.98 110.285 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.17 132.26 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 1.31 111.119 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -109.74 139.06 45.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.484 -0.78 . . . . 2.05 109.877 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 tp -74.99 -25.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.768 -0.651 . . . . 0.7 111.035 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.82 -32.04 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 2.28 111.178 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -65.41 160.74 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.579 0.705 . . . . 1.17 111.58 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 54.1 mtm180 -88.52 161.23 17.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.251 -0.886 . . . . 3.15 109.246 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 74.9 m-85 -60.19 -35.76 76.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.968 0.413 . . . . 0.54 110.715 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -62.28 -25.27 67.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.63 111.532 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -73.53 -29.64 62.58 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.561 0.219 . . . . 2.2 111.157 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.62 -10.64 53.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 1.44 110.499 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.45 3.94 23.76 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.623 -0.799 . . . . 0.56 113.224 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.41 124.1 29.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.898 0.349 . . . . 1.09 110.336 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -85.84 177.45 7.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.797 -0.446 . . . . 1.66 109.797 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -57.76 -39.69 78.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 1.55 110.683 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.63 -44.15 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.756 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.29 -42.72 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.904 -0.406 . . . . 1.11 109.904 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -57.65 -47.48 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.366 -0.834 . . . . 1.42 110.467 -178.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.39 -51.08 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.63 111.21 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -68.11 -33.47 74.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.6 110.765 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.0 -44.71 91.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.44 110.318 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.7 mt -63.03 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.72 110.499 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.8 m -58.3 -35.62 72.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.21 111.061 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.47 -45.17 76.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 1.44 110.77 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.15 -35.97 78.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.05 -0.523 . . . . 1.22 110.483 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.33 -42.49 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 1.81 110.537 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.4 -22.97 65.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.41 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.09 -62.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.58 110.942 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -86.2 -34.31 20.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 1.04 111.67 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 CA-C-N 115.965 -0.561 . . . . 1.23 112.888 179.404 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.938 0.399 . . . . 1.59 111.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.3 m -71.9 -30.5 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 1.94 111.108 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -85.07 89.53 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.168 0.509 . . . . 0.67 110.643 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 -50.47 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.274 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 14.9 p -89.07 152.31 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.65 110.972 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 80.9 t -61.24 -35.97 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.6 110.163 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.401 -0.818 . . . . 0.36 112.127 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.7 -50.6 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 2.04 110.907 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.85 -39.37 87.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.143 -0.48 . . . . 0.53 110.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.52 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.38 110.787 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -67.37 -29.77 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 4.06 111.032 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.98 81.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.041 0.448 . . . . 0.59 111.217 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -82.09 -20.68 37.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 0.9 111.404 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.37 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.483 . . . . 0.72 110.244 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.633 . . . . 2.83 110.164 177.343 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 121.141 0.496 . . . . 2.67 110.417 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -71.4 -40.93 70.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 2.94 110.325 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 96.8 mt-30 -59.78 -48.03 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 2.67 111.349 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 10' ' ' VAL . 14.6 p -68.55 -37.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.712 -0.222 . . . . 1.59 111.174 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 tpt -66.45 -37.76 85.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.75 109.809 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.58 -38.96 89.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 1.36 110.361 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 69.9 mt-30 -63.47 -41.46 98.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 2.62 110.898 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 6' ' ' VAL . 48.8 t -65.56 -41.87 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 1.39 110.212 177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.66 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.476 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.04 -42.12 76.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.55 110.8 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.5 tp-100 -61.36 -56.66 17.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.791 -0.641 . . . . 1.37 110.762 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.6 m -64.39 -35.84 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 1.08 111.264 -177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.86 -49.96 69.85 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.15 0.5 . . . . 1.09 110.643 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 69.4 t60 -62.77 -40.72 98.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.411 -0.813 . . . . 2.01 110.674 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -66.12 -41.3 90.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.321 . . . . 1.54 110.431 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 92.3 mt -60.81 -44.2 97.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.861 0.362 . . . . 0.45 110.433 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.64 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.176 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -70.29 -38.57 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 2.35 110.574 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.3 t -67.83 -48.1 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.69 110.53 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.83 -42.99 85.48 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.418 -0.355 . . . . 1.67 110.637 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.48 92.4 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.94 112.209 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.74 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.19 111.237 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -71.81 -32.03 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 3.21 110.972 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 15.49 71.02 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.346 -0.702 . . . . 1.22 111.346 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.58 179.29 49.06 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.13 -0.557 . . . . 1.1 112.578 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.14 119.82 7.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.998 2.466 . . . . 1.64 112.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.81 109.1 8.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 2.51 109.935 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.29 148.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.937 -0.574 . . . . 1.34 110.472 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 129.72 34.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.98 110.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.51 138.23 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 1.31 111.35 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.67 178.76 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.266 -0.642 . . . . 2.05 109.266 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -74.39 -33.93 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.394 -0.523 . . . . 0.7 111.148 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.38 -0.96 57.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.227 0.537 . . . . 2.28 111.028 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -62.67 135.05 57.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.486 . . . . 1.17 111.456 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -92.28 133.89 35.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.875 -0.787 . . . . 3.15 108.875 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -62.11 -28.01 69.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.54 112.557 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -63.84 -44.98 91.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.775 0.321 . . . . 1.63 110.431 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.76 -31.17 64.71 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.206 0.527 . . . . 2.2 110.158 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 tp -70.26 -19.08 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.533 -0.758 . . . . 1.44 110.801 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.84 18.48 27.29 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.79 -0.719 . . . . 0.56 112.686 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.26 110.23 22.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.022 -0.362 . . . . 1.09 110.022 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -76.07 174.48 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.201 -0.454 . . . . 1.66 109.935 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -59.96 -36.87 78.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 1.55 110.33 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.3 mp -67.91 -38.07 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.22 110.148 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.41 -37.58 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 1.11 109.988 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 52' ' ' ILE . 50.6 mt -60.8 -44.38 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 1.42 110.706 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.21 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.63 110.591 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.9 m -66.49 -44.05 83.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.6 111.081 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.82 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.424 . . . . 0.44 111.014 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 48' ' ' LEU . 70.3 mt -65.3 -33.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.721 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -63.2 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 1.21 110.318 175.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.39 -21.37 62.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 1.44 110.923 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.18 -28.14 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.409 0.623 . . . . 1.22 109.797 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.89 -43.63 86.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.191 -0.913 . . . . 1.81 110.327 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.47 -8.76 43.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.65 111.948 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -87.82 -49.14 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.58 110.738 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -95.14 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.064 0.394 . . . . 1.04 112.064 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 111.357 -0.697 . . . . 1.23 111.357 -173.071 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.037 0.446 . . . . 1.59 111.255 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -76.4 -14.66 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 1.94 110.039 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.72 89.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.82 -0.627 . . . . 0.67 109.574 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.96 -58.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.88 110.449 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -102.17 162.48 12.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.65 110.572 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.01 -35.56 66.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.18 0.514 . . . . 0.6 109.868 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.34 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.451 -0.795 . . . . 0.36 111.426 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.6 -48.24 70.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.898 0.38 . . . . 2.04 110.55 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.68 -45.95 91.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.612 -0.722 . . . . 0.53 110.205 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.17 -53.91 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.579 -0.737 . . . . 0.38 111.236 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -59.35 -42.19 90.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.315 . . . . 4.06 111.546 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.78 94.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.59 111.728 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -90.73 -9.98 44.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.839 0.311 . . . . 0.9 111.839 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.47 28.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.265 0.555 . . . . 0.72 109.931 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 2.83 110.048 176.59 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.448 -0.661 . . . . 5.43 111.448 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -79.0 150.99 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 4.76 111.356 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -120.71 162.67 33.47 Favored Pre-proline 0 N--CA 1.447 -0.622 0 CA-C-N 115.712 -0.676 . . . . 3.49 109.505 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.9 -41.19 48.18 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 121.987 1.791 . . . . 2.79 111.799 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -66.21 -41.68 89.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.586 -0.734 . . . . 4.74 111.702 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.3 p -83.19 -18.1 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 2.63 111.199 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.44 -31.95 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 2.49 110.199 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.26 -32.15 72.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 2.67 110.404 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -77.65 -38.22 48.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 2.94 110.062 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.86 -47.35 86.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 2.67 111.269 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.49 -34.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.558 -0.292 . . . . 1.59 110.808 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.34 -42.73 83.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.412 0.625 . . . . 0.75 109.729 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.65 -34.7 78.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.645 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.54 -50.71 71.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 2.62 110.963 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.0 m -69.98 -31.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.659 -0.246 . . . . 1.39 110.783 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.59 -49.88 76.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.441 -0.345 . . . . 0.65 110.775 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -39.94 77.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.117 -0.492 . . . . 0.55 110.935 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 49.7 tp60 -64.09 -50.34 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.982 -0.554 . . . . 1.37 110.204 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' VAL . 95.1 t -59.53 -44.31 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.109 -0.496 . . . . 1.08 111.035 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.69 -45.68 73.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.874 0.369 . . . . 1.09 110.865 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -65.4 -35.59 81.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 2.01 110.76 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 83.8 mm-40 -72.97 -36.57 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.387 -0.37 . . . . 1.54 110.546 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.93 -45.68 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.45 110.315 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.19 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.51 110.632 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.41 -48.58 79.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 2.35 110.856 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.6 t -59.83 -57.61 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.69 111.154 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.11 -37.89 86.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 1.67 110.743 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -39.9 97.74 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.124 -0.56 . . . . 0.94 112.467 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.65 75.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 1.19 111.085 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 48.9 mtpt -74.55 -19.8 60.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 3.21 111.102 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.94 18.87 32.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 1.22 112.656 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.83 149.61 18.54 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.778 -0.725 . . . . 1.1 112.064 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.85 137.41 78.64 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.106 2.537 . . . . 1.64 112.224 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.89 115.92 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 2.51 111.144 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.15 149.29 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.698 -0.683 . . . . 1.34 109.908 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.54 122.46 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.882 0.372 . . . . 0.98 110.63 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.25 104.09 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 1.31 111.155 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 44.2 mm-40 -95.31 143.61 26.55 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 2.05 109.291 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.73 -28.4 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.574 . . . . 0.7 111.974 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -98.34 8.96 44.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.815 0.34 . . . . 2.28 110.765 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 42.5 t -84.77 150.17 25.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 1.17 110.955 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -84.6 141.25 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 3.15 109.376 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 48.1 m-85 -60.19 -37.89 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.782 0.325 . . . . 0.54 110.781 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 30.7 t -66.52 -26.9 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 1.63 110.59 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.12 -33.42 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 2.2 110.088 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.78 -15.56 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 1.44 111.143 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -0.13 19.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.442 -0.885 . . . . 0.56 112.896 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.2 mm? -83.02 124.13 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.848 -0.427 . . . . 1.09 109.848 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -89.33 -176.78 5.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.684 -0.488 . . . . 1.66 109.684 175.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -55.94 -47.89 76.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 1.55 111.25 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.99 -37.63 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 2.22 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -68.49 -37.25 79.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.438 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.14 -46.53 90.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 1.42 109.767 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.85 95.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.612 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.0 m -62.67 -45.14 94.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.6 110.565 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.09 -43.64 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.44 110.9 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.65 -47.56 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.72 110.503 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -62.65 -36.12 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.97 -0.559 . . . . 1.21 111.158 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -65.67 -31.7 72.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 1.44 110.849 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 tp -81.69 -39.11 24.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.241 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.82 -45.1 78.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.972 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.92 -13.27 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.65 111.887 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 54' ' ' ASN . 90.2 t -82.9 -57.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.405 . . . . 0.58 110.7 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -85.53 -28.01 25.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.04 111.744 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.52 8.67 82.79 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.807 -0.711 . . . . 1.23 111.357 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -121.15 158.32 28.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.45 -0.375 . . . . 1.83 110.161 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.78 96.9 0.69 Allowed Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.979 -0.378 . . . . 4.01 109.979 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 7.6 Cg_exo -72.78 120.66 6.8 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.762 2.308 . . . . 3.94 112.672 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 31.0 m-85 -100.93 4.2 42.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.248 -0.433 . . . . 4.03 110.459 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 91' ' ' PRO . . . -65.47 -68.7 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.146 -0.479 . . . . 4.87 110.879 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.84 -32.85 21.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.469 . . . . 5.89 110.633 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 63' ' ' PRO . . . -86.76 28.34 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.119 0.485 . . . . 2.63 110.859 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 10.5 p -68.8 -25.66 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 3.37 110.503 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -104.46 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 1.8 110.199 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.87 -23.68 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.152 0.501 . . . . 1.51 110.668 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -73.72 -13.6 61.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 1.59 111.412 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -85.5 -6.06 59.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.035 0.445 . . . . 1.94 110.478 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.65 89.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.67 109.32 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.69 -57.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.031 -0.531 . . . . 0.88 111.003 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.5 p -97.49 164.71 12.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.815 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 65.3 t -56.27 -42.19 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.6 110.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.17 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.553 -0.749 . . . . 0.36 111.93 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.26 -45.05 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 2.04 111.171 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.41 -42.7 61.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.912 0.387 . . . . 0.53 110.235 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.824 -0.625 . . . . 0.38 110.818 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 81' ' ' ARG . 43.9 ttp180 -54.56 -43.37 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 4.06 111.409 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.59 111.547 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -87.0 -13.83 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.517 -0.311 . . . . 0.9 111.387 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.94 -27.95 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.06 0.457 . . . . 0.72 110.488 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -87.18 30.84 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 2.83 110.979 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.79 138.4 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.501 . . . . 3.59 110.314 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.58 -10.55 23.72 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.581 -0.819 . . . . 2.96 112.775 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.9 m -112.96 127.56 26.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.806 0.336 . . . . 3.59 111.056 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 88' ' ' VAL . 23.5 Cg_exo -64.3 114.62 2.75 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.675 2.25 . . . . 5.2 112.037 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 -95.4 2.33 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.637 -0.585 . . . . 6.5 111.637 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 65' ' ' ALA . 60.8 Cg_endo -72.44 164.39 35.76 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.753 2.302 . . . . 8.43 111.547 176.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 t -79.93 119.7 77.52 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.797 -0.446 . . . . 9.92 109.797 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -59.12 -30.97 94.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.809 2.339 . . . . 11.69 112.177 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.509 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 26.6 t70 -119.49 121.37 30.08 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.386 . . . . 12.71 110.083 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.54 -15.13 17.63 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.751 2.301 . . . . 13.87 113.001 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.07 -43.17 22.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.658 -0.246 . . . . 16.37 110.65 -176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 0.7 OUTLIER -73.41 -28.31 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.573 -0.528 . . . . 13.44 109.573 177.078 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.51 75.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.308 0.575 . . . . 14.0 109.843 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.8 -36.17 77.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 17.04 110.302 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.49 -30.98 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 17.18 110.674 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.06 -33.63 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 16.96 110.502 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.82 -41.45 17.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.215 0.531 . . . . 18.98 110.589 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 tp -80.13 88.01 5.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.642 -0.708 . . . . 19.25 110.59 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -96.07 10.2 38.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 20.5 110.449 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -119.22 171.19 8.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.982 -0.554 . . . . 22.61 110.042 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 22.66 109.794 179.772 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.055 -0.418 . . . . 5.43 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 61.2 mt 66.89 92.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.389 0.614 . . . . 4.76 111.131 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.46 123.87 62.64 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.564 -0.744 . . . . 3.49 110.173 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.66 -28.44 81.59 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.737 2.291 . . . . 2.79 111.834 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -64.84 -33.95 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.01 -0.541 . . . . 4.74 110.88 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.1 m -59.91 -48.95 79.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.025 -0.361 . . . . 2.63 110.025 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.52 -40.6 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 2.49 110.269 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.35 -50.3 74.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 2.67 110.488 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.68 -42.15 96.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 2.94 110.635 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.95 -53.4 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.67 111.537 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.35 -31.04 49.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.65 0.262 . . . . 1.59 111.164 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.1 tpt -77.29 -37.42 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.75 110.735 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -72.5 -29.96 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.829 -0.434 . . . . 1.36 109.829 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.07 -51.03 68.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.62 110.571 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.2 p -67.34 -31.57 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 110.157 -0.312 . . . . 1.39 110.157 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 71.9 t80 -65.56 -45.02 84.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.65 110.615 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.98 -38.77 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 0.55 110.327 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.2 tp60 -67.1 -49.6 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.601 -0.727 . . . . 1.37 111.025 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.0 m -65.51 -36.14 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.827 -0.349 . . . . 1.08 110.426 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.01 -44.59 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.252 0.548 . . . . 1.09 109.826 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 14.6 t60 -65.54 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.622 -0.717 . . . . 2.01 110.193 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 32.7 mm-40 -66.98 -49.93 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 1.54 110.31 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 82.8 mt -56.9 -44.62 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.112 -0.495 . . . . 0.45 110.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.64 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.51 111.77 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.0 mt-30 -74.36 -33.63 63.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.949 0.404 . . . . 2.35 110.722 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.99 -38.52 72.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.45 . . . . 0.69 110.24 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 85.5 mt -60.35 -39.3 86.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 1.67 110.144 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.08 93.14 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.699 -0.682 . . . . 0.94 111.934 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.42 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 1.19 110.688 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -73.16 -19.03 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 3.21 110.342 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.52 28.4 32.88 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.583 -0.735 . . . . 1.22 112.484 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.03 179.84 16.24 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.638 -0.791 . . . . 1.1 112.795 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.53 168.14 25.5 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.457 2.771 . . . . 1.64 112.366 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.06 108.96 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 2.51 110.218 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.4 164.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.878 -0.601 . . . . 1.34 111.355 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.33 97.9 11.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.566 . . . . 0.98 110.44 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.95 130.99 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.895 -0.593 . . . . 1.31 110.721 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.65 168.12 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.853 -0.612 . . . . 2.05 109.47 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.1 -11.66 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.176 -0.466 . . . . 0.7 112.043 -173.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -112.39 7.13 19.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.067 -0.396 . . . . 2.28 111.379 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -74.03 128.58 35.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 1.17 111.058 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -81.66 138.88 35.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.037 -0.727 . . . . 3.15 109.037 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -62.27 -23.37 66.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.54 111.018 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -63.7 -52.33 61.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.911 -0.586 . . . . 1.63 110.444 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -80.73 -10.27 59.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 2.2 110.995 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.82 -20.12 33.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 1.44 110.675 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.57 18.87 22.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.603 -0.808 . . . . 0.56 112.981 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.94 104.7 16.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.954 -0.387 . . . . 1.09 109.954 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.87 178.98 6.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.891 -0.595 . . . . 1.66 110.982 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -53.49 -64.72 0.73 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.072 0.768 . . . . 1.55 113.072 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.8 -37.29 86.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 2.22 111.094 -175.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -65.93 -45.67 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.882 -0.599 . . . . 1.11 110.451 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 tp -65.11 -41.72 94.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 1.42 110.416 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.096 0.474 . . . . 0.63 110.79 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.2 m -69.61 -38.42 77.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.6 110.284 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.378 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.1 mm -54.94 -53.01 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.872 -0.604 . . . . 0.72 110.667 177.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -62.6 -34.8 77.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 1.21 111.384 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.6 m-80 -61.28 -52.52 64.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 1.44 110.982 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.65 -37.35 79.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.411 . . . . 1.22 110.596 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 7.7 tm-20 -58.75 -44.68 90.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 1.81 110.063 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.12 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.65 111.157 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ASN . 79.5 t -66.18 -46.1 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.58 111.031 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.91 -47.74 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.823 0.345 . . . . 1.04 111.869 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.79 -4.9 82.16 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.718 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -99.58 179.05 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.294 . . . . 1.83 111.341 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 55.17 93.1 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.583 0 O-C-N 123.972 0.795 . . . . 4.01 111.899 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.7 118.33 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.177 1.918 . . . . 3.94 112.0 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -79.59 10.76 3.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 4.03 111.529 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 4.87 109.883 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -79.72 -40.41 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 5.89 110.444 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.76 30.3 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.792 -0.64 . . . . 2.63 110.914 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.39 -26.77 31.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.927 -0.579 . . . . 3.37 111.652 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.34 107.6 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.616 -0.513 . . . . 1.8 109.616 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.22 -20.08 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.51 110.974 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.5 p -67.21 -6.66 19.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 1.59 111.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 m -80.33 -26.07 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 1.94 110.052 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.92 89.46 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.99 -0.55 . . . . 0.67 109.595 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.15 -49.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.656 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.3 p -109.35 162.79 14.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.91 -0.587 . . . . 0.65 110.497 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.33 -33.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.934 0.397 . . . . 0.6 110.572 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.82 77.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.694 . . . . 0.36 111.283 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -59.97 -47.34 86.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.222 0.534 . . . . 2.04 110.16 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.64 -38.84 70.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.353 -0.839 . . . . 0.53 110.631 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.68 69.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.842 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.7 mtm-85 -63.53 -30.13 71.3 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.475 0.176 . . . . 4.06 111.475 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -40.48 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.59 110.571 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.434 ' OH ' ' HA ' ' A' ' 56' ' ' GLU . 72.3 m-85 -90.19 -15.21 31.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.9 111.642 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.81 -29.74 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 0.72 110.261 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -86.13 -5.34 59.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.709 -0.678 . . . . 2.83 110.858 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -90.36 115.84 27.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.817 0.341 . . . . 3.59 110.419 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.41 25.47 61.13 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.02 -0.609 . . . . 2.96 112.018 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.01 129.02 79.81 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.321 0.581 . . . . 3.59 111.244 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.49 111.69 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.239 2.626 . . . . 5.2 112.233 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.9 -78.58 0.34 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.39 -0.909 . . . . 6.5 112.756 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.94 133.08 44.93 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.146 2.564 . . . . 8.43 112.9 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.0 m -95.39 127.29 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 9.92 110.126 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 11.5 Cg_exo -70.16 -35.26 11.79 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.598 2.199 . . . . 11.69 112.092 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -107.6 139.66 20.79 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 12.71 110.183 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.54 -12.33 22.52 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.815 2.343 . . . . 13.87 113.044 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.47 -31.21 63.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.929 0.395 . . . . 16.37 110.267 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.78 -36.63 77.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 13.44 110.694 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.06 -0.36 57.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.564 . . . . 14.0 111.058 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.0 -18.43 39.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 17.04 109.736 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 89.8 mt -72.03 109.52 5.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.73 . . . . 17.18 110.298 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.74 -32.16 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.335 -0.393 . . . . 16.96 110.657 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.8 -43.96 28.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 18.98 109.625 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 88.3 mt -85.45 77.39 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.606 -0.725 . . . . 19.25 109.188 173.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -118.33 -6.38 10.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 20.5 111.39 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -90.17 55.47 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.449 0.642 . . . . 22.61 110.079 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.544 -0.741 . . . . 22.66 110.269 -178.812 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.674 -0.57 . . . . 5.43 111.674 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.45 129.62 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.157 -0.312 . . . . 4.76 110.157 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.569 ' HB3' ' OG1' ' A' ' 1' ' ' THR . 18.0 t70 -120.37 133.09 23.96 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.286 -0.415 . . . . 3.49 110.232 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' -2' ' ' ASP . 16.9 Cg_exo -67.93 -18.88 46.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.911 2.407 . . . . 2.79 113.52 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -97.46 -33.98 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.522 0.201 . . . . 4.74 111.171 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.569 ' OG1' ' HB3' ' A' ' -2' ' ' ASP . 40.9 p -65.71 -17.5 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.886 0.374 . . . . 2.63 110.732 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 2.49 110.596 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.9 -34.04 74.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 2.67 110.022 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -71.65 -40.94 69.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 2.94 109.597 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.08 -52.93 62.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.134 -0.939 . . . . 2.67 111.111 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.85 -26.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.78 0.324 . . . . 1.59 110.933 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -75.75 -40.63 55.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.487 -0.324 . . . . 0.75 111.505 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.94 -23.75 52.42 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.832 -0.747 . . . . 1.36 109.95 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.59 -45.85 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 2.62 110.931 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.18 -37.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.948 -0.301 . . . . 1.39 110.527 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.9 t80 -62.19 -44.93 95.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.845 0.355 . . . . 0.65 110.174 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.99 -40.68 81.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.822 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.67 -47.13 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 1.37 110.927 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.5 m -67.48 -33.73 64.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 120.685 -0.406 . . . . 1.08 110.669 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.82 -49.13 76.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.306 0.574 . . . . 1.09 110.224 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -67.55 -39.31 84.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.585 -0.734 . . . . 2.01 110.849 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.37 -48.63 64.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.54 111.288 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.18 -42.89 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.45 110.746 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.12 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.51 111.432 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -79.48 -33.94 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 2.35 111.302 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.25 -46.4 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.69 110.315 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.09 -39.85 93.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 1.67 110.514 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.16 97.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.074 -0.584 . . . . 0.94 112.169 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.0 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 1.19 111.088 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -82.79 -31.58 28.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.159 0.504 . . . . 3.21 110.421 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.32 15.49 17.43 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.816 -0.707 . . . . 1.22 111.942 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.87 145.26 20.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.706 -0.759 . . . . 1.1 111.785 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.41 144.74 62.72 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.557 2.172 . . . . 1.64 111.868 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.42 112.63 18.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.3 -0.409 . . . . 2.51 110.602 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -111.06 178.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.919 -0.582 . . . . 1.34 110.77 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.25 102.24 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.98 111.224 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.82 126.08 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.117 0.484 . . . . 1.31 110.405 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.4 172.78 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 2.05 110.332 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -73.41 -35.12 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.938 0.399 . . . . 0.7 110.912 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -95.09 16.83 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.447 . . . . 2.28 110.52 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 t -85.75 146.88 26.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 1.17 110.242 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.77 130.76 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.184 -0.462 . . . . 3.15 110.102 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 89.1 m-85 -59.08 -31.56 69.01 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.463 -0.79 . . . . 0.54 111.837 -175.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -61.05 -34.18 74.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 1.63 110.892 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.08 -34.02 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.095 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -77.09 -5.59 49.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 1.44 110.864 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 28.88 13.17 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.683 -0.77 . . . . 0.56 111.86 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -107.89 119.49 39.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.718 -0.475 . . . . 1.09 109.718 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -96.75 -175.07 3.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.422 -0.354 . . . . 1.66 110.224 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -58.73 -41.22 85.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.765 0.317 . . . . 1.55 110.844 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.23 -42.22 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 2.22 110.589 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.94 -40.02 87.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.14 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 mt -65.9 -39.99 91.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.42 110.943 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.07 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.63 110.28 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -70.13 -44.92 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.842 -0.617 . . . . 0.6 110.834 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.41 -50.99 71.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.121 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.5 mt -62.78 -42.62 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.72 110.776 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 m -61.08 -36.95 81.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.256 0.55 . . . . 1.21 110.833 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -75.22 -31.61 60.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.583 -0.735 . . . . 1.44 110.517 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 2.5 mm? -70.23 -34.9 73.44 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.494 -0.321 . . . . 1.22 110.693 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.48 -38.24 71.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.81 110.195 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.94 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.65 111.576 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.16 -43.69 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.462 -0.335 . . . . 0.58 111.071 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -96.84 -30.18 13.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.208 0.447 . . . . 1.04 112.208 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.94 -3.32 87.36 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.432 -0.667 . . . . 1.23 111.432 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 86' ' ' GLN . 24.2 p -133.35 123.12 24.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.203 -0.499 . . . . 1.83 109.836 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 21.0 t70 -146.74 120.57 5.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 4.01 111.157 -177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 1.8 Cg_endo -85.1 115.47 1.69 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.925 2.417 . . . . 3.94 110.812 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -99.72 -3.55 32.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.869 -0.332 . . . . 4.03 111.478 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.48 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 4.87 111.298 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.4 -14.1 55.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.232 -0.44 . . . . 5.89 110.82 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.78 -0.08 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.494 . . . . 2.63 111.381 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.23 -45.75 89.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.251 0.548 . . . . 3.37 109.772 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -93.97 111.19 22.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.835 -0.621 . . . . 1.8 109.507 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.69 -14.45 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.533 . . . . 1.51 111.088 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 p -75.72 -5.25 44.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 1.59 111.945 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -80.42 -30.24 37.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 1.94 110.44 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.68 90.23 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.779 -0.646 . . . . 0.67 109.929 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.47 -45.8 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.88 110.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -119.64 168.0 11.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.349 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.591 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 89.0 t -58.14 -40.0 75.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.371 . . . . 0.6 110.348 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.88 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.643 -0.708 . . . . 0.36 112.266 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.68 -41.27 88.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 2.04 110.863 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.11 -40.8 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.53 110.379 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.41 97.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.249 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.77 -31.76 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.683 0.278 . . . . 4.06 110.656 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 86' ' ' GLN . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.027 0.441 . . . . 0.59 110.475 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 55' ' ' LEU . 73.8 m-85 -87.77 -11.43 48.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.149 -0.478 . . . . 0.9 111.425 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.28 54.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.403 0.621 . . . . 0.72 109.395 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -80.0 -21.27 43.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.143 -0.935 . . . . 2.83 109.574 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.6 mm-40 -90.91 160.75 15.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.44 -0.8 . . . . 3.59 110.26 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.64 26.39 63.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.861 -0.685 . . . . 2.96 112.187 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 19.1 m -96.6 126.7 42.36 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.811 0.339 . . . . 3.59 111.154 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.98 115.81 3.18 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.554 2.17 . . . . 5.2 111.587 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.35 -132.65 6.68 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.021 -0.609 . . . . 6.5 112.209 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.13 137.31 47.63 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.684 2.256 . . . . 8.43 112.005 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -61.56 119.65 48.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 9.92 109.656 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.13 -27.08 57.15 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.708 2.272 . . . . 11.69 113.024 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 97' ' ' ASP . 15.0 t70 -170.9 117.76 0.47 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 12.71 110.522 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.21 -38.39 95.33 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.506 2.804 . . . . 13.87 113.688 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -69.26 -40.48 77.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.255 0.55 . . . . 16.37 109.726 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 94' ' ' ASP . 15.7 t70 -58.83 -38.47 78.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.067 -0.97 . . . . 13.44 111.048 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.37 75.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 14.0 110.5 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.22 -53.55 53.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 17.04 110.966 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 83.8 mt -84.29 63.49 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.919 -0.582 . . . . 17.18 110.562 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -62.93 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.456 0.539 . . . . 16.96 112.456 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -107.51 6.99 28.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.674 -0.41 . . . . 18.98 110.853 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.5 tp -139.58 58.83 1.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.394 0.616 . . . . 19.25 110.422 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 80.2 mtt180 -97.73 75.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.843 -0.617 . . . . 20.5 110.631 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -122.15 -61.1 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.247 -0.433 . . . . 22.61 110.671 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.096 -0.956 . . . . 22.66 110.945 -179.257 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.909 -0.476 . . . . 5.43 111.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.28 55.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.519 0.676 . . . . 4.76 110.147 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 10.4 m-20 -90.86 112.32 52.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.507 -0.769 . . . . 3.49 109.347 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -49.87 -35.43 39.96 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.874 3.049 . . . . 2.79 114.331 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -71.74 -18.67 62.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 4.74 110.945 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 63.0 p -106.0 -15.57 14.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.464 -0.334 . . . . 2.63 111.318 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 6' ' ' VAL . 60.9 mt -60.16 -40.73 90.93 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.589 0.218 . . . . 2.49 111.589 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -62.77 -39.04 92.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.126 0.488 . . . . 2.67 110.174 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -69.55 -34.69 74.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 2.94 110.093 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 1' ' ' THR . 78.1 mt-30 -66.74 -35.25 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 2.67 110.632 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 2' ' ' LEU . 99.0 t -63.75 -47.29 91.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.092 0.473 . . . . 1.59 110.073 175.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.6 tpt -70.09 -34.46 73.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.701 -0.681 . . . . 0.75 110.326 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.14 -42.3 85.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.36 110.484 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.68 -50.92 71.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 2.62 111.204 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.47 -34.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 1.39 111.108 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' VAL . 60.7 t80 -70.15 -37.84 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.65 110.534 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.08 -31.01 71.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.55 109.959 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.11 -50.44 48.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.409 -0.814 . . . . 1.37 110.567 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.3 m -62.24 -36.71 75.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 120.844 -0.342 . . . . 1.08 110.584 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.17 -49.39 74.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.149 0.5 . . . . 1.09 110.158 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -59.95 -37.15 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.796 . . . . 2.01 110.76 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 84.9 mm-40 -74.16 -42.3 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 1.54 111.108 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' VAL . 84.9 mt -60.33 -43.24 93.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.526 -0.306 . . . . 0.45 110.454 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.34 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.51 110.879 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.83 -51.75 56.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 2.35 111.043 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 -52.52 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.69 111.188 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.05 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.233 -0.187 . . . . 1.67 111.089 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.72 72.44 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.746 -0.74 . . . . 0.94 112.144 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.29 55.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 1.19 111.037 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.87 -30.99 56.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 3.21 110.638 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.43 16.89 51.78 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.22 111.548 -176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 28' ' ' PRO . . . -96.95 148.1 18.89 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.086 -0.578 . . . . 1.1 112.034 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD3' ' HA2' ' A' ' 27' ' ' GLY . 27.2 Cg_exo -62.52 127.19 20.13 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.819 2.346 . . . . 1.64 112.578 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 tp -90.5 114.69 26.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.118 -0.492 . . . . 2.51 110.161 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 m -110.76 172.24 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 1.34 110.318 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.61 24.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.945 0.402 . . . . 0.98 110.924 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -105.44 139.86 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 1.31 110.457 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.94 171.63 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.157 -0.474 . . . . 2.05 109.785 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.96 -31.03 44.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.888 0.375 . . . . 0.7 111.082 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -93.18 5.67 50.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.272 0.558 . . . . 2.28 110.768 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.1 m -68.15 136.43 53.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.962 0.411 . . . . 1.17 110.651 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.0 130.72 36.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.88 -0.785 . . . . 3.15 108.88 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 86.5 m-85 -58.89 -39.63 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 0.54 111.842 -174.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 22.7 m -65.09 -41.08 95.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.017 0.437 . . . . 1.63 110.308 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.66 -28.38 65.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.615 -0.721 . . . . 2.2 110.304 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.5 tp -74.17 -20.13 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.626 -0.716 . . . . 1.44 110.713 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 7.94 12.04 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.86 -0.686 . . . . 0.56 113.13 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.4 mm? -104.57 123.2 47.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.35 . . . . 1.09 110.056 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 t -79.28 173.47 12.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.378 -0.601 . . . . 1.66 109.378 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 p -57.01 -40.87 77.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.88 0.371 . . . . 1.55 110.652 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.26 -43.47 98.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 2.22 110.6 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' HB3' HD12 ' A' ' 43' ' ' LEU . 19.8 m-20 -66.99 -42.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.819 -0.628 . . . . 1.11 109.995 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.0 tp -62.6 -40.91 98.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.476 -0.784 . . . . 1.42 110.436 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.05 87.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.878 0.37 . . . . 0.63 110.59 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -66.31 -42.08 88.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.6 110.089 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.4 tp -61.01 -47.83 84.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.44 111.091 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.6 mt -63.7 -43.72 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.72 111.317 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 p -67.77 -38.57 83.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 1.21 111.132 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 1.44 110.472 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.13 -36.84 75.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 1.22 110.267 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.92 -43.65 94.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.855 -0.611 . . . . 1.81 110.267 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.13 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.65 111.35 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.63 -48.47 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.365 . . . . 0.58 110.74 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.28 -44.91 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 1.04 111.821 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.15 14.67 82.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.017 -0.611 . . . . 1.23 111.945 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 p -129.6 169.2 15.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.597 0.221 . . . . 1.83 111.597 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 71.37 115.96 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.569 0 O-C-N 124.282 0.989 . . . . 4.01 111.821 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.87 130.73 9.71 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.998 2.466 . . . . 3.94 112.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -112.21 11.9 20.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.075 -0.511 . . . . 4.03 111.888 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.63 83.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.71 0.291 . . . . 4.87 110.993 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.61 -10.29 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.441 0.639 . . . . 5.89 110.39 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.28 29.42 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.182 -0.917 . . . . 2.63 110.76 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.63 -14.78 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.862 -0.608 . . . . 3.37 111.747 -174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.24 104.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.8 110.502 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.39 -31.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 1.51 111.529 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.9 p -77.2 -2.96 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.281 0.474 . . . . 1.59 112.281 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 m -75.37 -24.4 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.457 . . . . 1.94 110.444 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.14 98.56 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.696 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.45 -60.38 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.047 -0.524 . . . . 0.88 110.715 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -111.17 174.84 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.909 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 83.2 t -59.57 -35.78 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.181 0.515 . . . . 0.6 110.084 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.03 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.431 -0.804 . . . . 0.36 111.713 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.09 -35.53 81.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 2.04 110.71 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.7 tp -80.8 -50.75 9.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 0.53 110.913 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.21 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 0.38 111.88 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.99 -31.88 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 4.06 110.841 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.66 -56.5 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.59 111.017 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -66.37 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.561 -0.29 . . . . 0.9 111.343 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.63 61.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.72 111.627 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.68 -11.93 60.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 2.83 110.927 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -89.05 126.01 35.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.977 0.418 . . . . 3.59 110.41 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.66 28.21 14.92 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.785 -0.643 . . . . 2.96 112.543 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.86 136.87 21.18 Favored Pre-proline 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 3.59 111.215 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -81.25 109.75 2.17 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.659 2.239 . . . . 5.2 111.586 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -133.33 -104.28 0.87 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.561 -0.828 . . . . 6.5 112.166 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.67 137.08 34.89 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.486 2.124 . . . . 8.43 112.13 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.8 m -66.74 120.67 72.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.913 -0.585 . . . . 9.92 110.151 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 72.3 Cg_exo -51.7 -36.45 61.57 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.847 3.031 . . . . 11.69 113.557 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -110.21 103.75 54.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.727 0.299 . . . . 12.71 110.88 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.35 -29.17 88.26 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.836 2.357 . . . . 13.87 112.151 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.67 -37.56 73.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.82 -0.627 . . . . 16.37 109.996 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.25 -28.48 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 13.44 110.055 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.79 -26.95 64.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.62 . . . . 14.0 110.781 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -82.61 -36.55 26.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 17.04 110.409 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.9 mt -98.96 52.45 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 17.18 110.999 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 2.7 mmp_? -77.17 -29.97 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.424 . . . . 16.96 111.138 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -92.53 -1.7 56.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.346 0.593 . . . . 18.98 110.015 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.8 mm? 59.61 35.38 22.49 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.002 -0.999 . . . . 19.25 110.927 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 3.9 tpm_? -124.34 118.12 26.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.33 -0.85 . . . . 20.5 109.177 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 106' ' ' LEU . 59.3 tt0 -72.97 -35.77 66.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 22.61 111.128 -177.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 63.5 tp . . . . . 0 C--O 1.247 0.932 0 O-C-N 124.014 0.821 . . . . 22.66 110.961 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.555 -0.618 . . . . 5.43 111.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.9 tt -145.08 138.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.146 0.498 . . . . 4.76 110.761 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.46 146.77 81.38 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.695 -0.684 . . . . 3.49 110.171 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.99 -24.06 55.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.246 2.63 . . . . 2.79 112.765 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.63 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 4.74 110.283 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 p -68.81 -22.91 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 2.63 110.997 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.86 -40.54 95.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 2.49 110.522 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -68.89 -35.15 76.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.173 0.511 . . . . 2.67 109.907 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -67.08 -40.46 86.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 2.94 109.551 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.75 -46.44 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.614 . . . . 2.67 111.623 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.39 -29.23 41.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.998 0.428 . . . . 1.59 110.084 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.7 tpt -68.1 -39.6 82.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.485 -0.561 . . . . 0.75 109.485 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.58 -40.96 84.64 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.942 -0.572 . . . . 1.36 110.369 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.28 -51.99 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.345 -0.843 . . . . 2.62 110.806 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.86 -43.96 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.39 111.407 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.447 -0.342 . . . . 0.65 111.316 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.9 -33.31 75.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.55 110.146 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 56.3 tp60 -63.32 -55.06 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 1.37 110.605 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.2 m -63.91 -36.2 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 1.08 110.991 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.73 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.982 0.42 . . . . 1.09 110.106 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 51.7 t-80 -56.73 -44.58 81.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 2.01 110.501 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -63.87 -41.86 97.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 1.54 110.838 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.8 mt -58.72 -46.73 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.45 110.362 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -34.77 76.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.717 -0.674 . . . . 0.51 111.485 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -72.14 -43.32 64.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.62 0.248 . . . . 2.35 111.041 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.8 -44.84 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.69 110.554 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 22' ' ' LEU . 14.0 tp -68.34 -37.41 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 1.67 110.633 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.67 95.13 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.113 -0.565 . . . . 0.94 112.381 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.45 -18.15 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.112 0.482 . . . . 1.19 110.968 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -82.72 -20.75 35.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 3.21 110.292 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 9.38 44.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.73 . . . . 1.22 111.992 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.87 157.84 23.03 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.993 -0.622 . . . . 1.1 111.97 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.86 157.29 47.69 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.775 2.316 . . . . 1.64 111.768 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -74.58 108.69 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.53 -0.915 . . . . 2.51 108.53 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 m -87.97 156.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 1.34 111.364 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.07 100.16 8.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.98 109.581 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.12 114.5 17.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.82 -0.627 . . . . 1.31 110.821 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 24.7 mm-40 -95.2 153.03 17.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.273 -0.64 . . . . 2.05 109.273 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 77' ' ' ALA . 9.9 tp -64.86 -26.52 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.093 0.473 . . . . 0.7 110.822 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -98.64 4.77 48.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 2.28 111.337 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 33' ' ' GLU . 73.6 m -67.01 117.67 9.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.411 . . . . 1.17 111.3 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -69.41 126.31 29.38 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.296 -1.001 . . . . 3.15 108.296 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' HD21 ' A' ' 48' ' ' LEU . 45.9 m-85 -49.93 -53.0 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.791 0.663 . . . . 0.54 112.791 -169.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.0 m -66.01 -29.27 69.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.738 0.304 . . . . 1.63 111.465 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.42 -30.49 64.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 2.2 110.292 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 tp -79.77 -17.24 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 1.44 110.654 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.22 5.0 15.37 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.839 -0.696 . . . . 0.56 112.999 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.88 103.42 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.959 0.409 . . . . 1.09 110.169 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 -178.99 7.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.191 -0.458 . . . . 1.66 111.399 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -50.54 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 1.55 111.87 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.1 -40.99 91.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 2.22 110.815 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 -41.24 98.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 1.11 110.445 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 38' ' ' PHE . 34.6 mt -59.41 -47.53 85.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 1.42 111.28 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -47.17 80.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.63 110.398 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -65.1 -43.34 92.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.6 110.871 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.03 -54.11 48.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.342 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 48' ' ' LEU . 35.1 mt -67.43 -28.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.337 -0.392 . . . . 0.72 110.898 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -66.5 -41.71 88.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.841 0.353 . . . . 1.21 110.577 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.18 -36.57 77.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 1.44 109.837 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.57 -36.19 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 1.22 110.417 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.68 -45.36 81.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.181 -0.463 . . . . 1.81 110.219 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.06 63.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.65 111.421 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.49 -50.94 19.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.414 -0.357 . . . . 0.58 110.798 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.76 -32.62 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 1.04 112.119 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.23 13.2 82.26 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.024 -0.608 . . . . 1.23 112.033 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 p -126.23 -175.65 3.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.79 -0.205 . . . . 1.83 110.499 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 75.97 110.67 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.355 0 O-C-N 124.212 0.945 . . . . 4.01 112.035 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.07 131.96 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.125 2.55 . . . . 3.94 112.674 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -74.14 -7.1 51.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 4.03 111.357 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.74 86.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 4.87 110.049 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.43 -40.36 23.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 5.89 109.925 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.13 28.56 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 2.63 111.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.17 -22.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 3.37 109.917 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.19 77.01 8.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.611 -0.722 . . . . 1.8 110.124 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.83 -22.81 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 1.51 110.641 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 p -69.4 -13.6 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 1.59 111.642 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -79.93 -19.26 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.382 -0.599 . . . . 1.94 109.382 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.93 89.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.666 -0.697 . . . . 0.67 109.419 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.06 -51.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.129 -0.487 . . . . 0.88 110.551 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -107.22 162.43 13.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.583 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.52 -37.73 53.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.6 110.192 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -52.94 -38.7 62.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.649 -0.705 . . . . 0.36 111.681 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -63.52 -48.27 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 2.04 110.918 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.5 tp -70.96 -42.72 69.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.53 110.48 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.28 83.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.38 111.39 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 47.8 mtm105 -62.04 -36.11 80.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.718 -0.219 . . . . 4.06 111.288 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.16 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.59 110.918 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.25 -12.57 57.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.9 111.39 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.57 -24.52 61.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 0.72 110.131 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 79.7 mm-40 -77.4 -16.85 58.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 2.83 110.393 176.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -78.9 113.63 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 3.59 109.879 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.18 -24.21 4.78 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.939 -0.648 . . . . 2.96 111.986 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -109.21 130.14 23.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.764 0.316 . . . . 3.59 110.358 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.77 109.18 1.21 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.55 2.167 . . . . 5.2 112.646 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.98 -108.73 3.23 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.839 -0.904 . . . . 6.5 110.839 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.41 118.93 5.92 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.18 1.92 . . . . 8.43 110.75 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.4 p -83.59 119.44 73.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.645 -0.252 . . . . 9.92 110.934 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.78 -21.07 38.98 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.512 2.142 . . . . 11.69 111.699 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -127.91 84.73 62.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.474 0.654 . . . . 12.71 110.463 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -86.26 -3.66 8.63 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.827 2.351 . . . . 13.87 112.797 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.77 -41.74 99.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.38 . . . . 16.37 110.783 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 1.6 m-20 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 13.44 111.157 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.49 73.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.969 0.414 . . . . 14.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -70.2 -47.85 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.726 -0.67 . . . . 17.04 110.442 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 88.7 mt -87.61 93.76 9.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.918 -0.583 . . . . 17.18 109.997 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -61.8 -35.84 79.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.743 -0.662 . . . . 16.96 111.525 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.71 -24.96 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 18.98 110.509 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -80.69 -37.24 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 19.25 109.7 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 19.7 tpt180 -67.33 -38.35 84.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.536 -0.756 . . . . 20.5 111.011 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.58 96.71 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 22.61 110.344 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.51 -0.757 . . . . 22.66 109.968 -178.336 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.609 -0.596 . . . . 5.43 111.609 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 pt -69.08 141.88 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 4.76 110.695 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -105.66 109.5 63.25 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.176 -0.466 . . . . 3.49 110.683 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.84 -20.26 34.7 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.49 2.127 . . . . 2.79 112.539 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -71.93 -49.02 41.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 4.74 110.995 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.491 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 3.2 p -67.35 -35.81 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.471 -0.331 . . . . 2.63 111.125 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.14 -40.26 97.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.244 0.545 . . . . 2.49 109.703 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.18 -38.48 89.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 2.67 110.184 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -63.12 -36.04 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.94 110.619 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 1' ' ' THR . 92.1 mt-30 -63.59 -50.86 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.108 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.2 -36.54 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.59 110.463 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.51 -37.03 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.749 -0.66 . . . . 0.75 110.849 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.12 -37.98 87.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.08 0.467 . . . . 1.36 110.089 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 92.1 mt-30 -63.95 -46.42 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 2.62 111.16 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.9 p -70.84 -35.52 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.955 -0.298 . . . . 1.39 110.533 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HA ' HG22 ' A' ' 14' ' ' VAL . 55.2 t80 -63.12 -43.75 97.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.641 0.257 . . . . 0.65 110.413 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.09 -36.25 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.55 110.933 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 11.7 tt0 -77.35 -45.2 26.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.988 -0.551 . . . . 1.37 111.053 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 11' ' ' PHE . 12.5 m -66.03 -33.76 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.723 -0.391 . . . . 1.08 110.303 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.37 -45.87 90.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.184 0.516 . . . . 1.09 109.784 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 32.5 t-80 -62.32 -40.7 97.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 2.01 110.415 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 12.5 mm100 -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 1.54 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.9 mt -58.67 -45.32 90.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.15 0.5 . . . . 0.45 109.851 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.0 71.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.74 . . . . 0.51 111.371 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.3 mm-40 -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 2.35 110.349 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.5 -42.33 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.69 110.248 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 84.8 mt -60.67 -41.76 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 1.67 110.403 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.95 -36.16 90.57 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.718 -0.674 . . . . 0.94 112.114 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -32.64 74.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 1.19 110.745 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -77.44 -22.18 51.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 3.21 110.37 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.07 22.31 78.03 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.319 -0.855 . . . . 1.22 111.563 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.09 177.56 33.97 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.791 -0.719 . . . . 1.1 112.794 -174.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.97 146.13 51.9 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.182 2.588 . . . . 1.64 111.939 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.63 134.53 48.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 2.51 110.369 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.05 171.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.991 -0.55 . . . . 1.34 110.506 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 106.13 18.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.721 -0.474 . . . . 0.98 109.721 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.36 112.15 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.428 0.632 . . . . 1.31 112.149 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -112.81 174.65 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.948 -0.76 . . . . 2.05 108.948 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -72.09 -26.35 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.466 0.65 . . . . 0.7 110.141 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.39 2.53 52.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 2.28 111.026 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -75.55 143.24 42.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 1.17 111.112 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -90.04 140.27 29.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.026 -0.731 . . . . 3.15 109.026 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.4 ' CG ' HD21 ' A' ' 48' ' ' LEU . 78.7 m-85 -64.69 -16.77 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.478 0.547 . . . . 0.54 112.478 -172.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 t -65.21 -34.91 79.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.101 0.477 . . . . 1.63 109.819 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.24 -12.3 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 2.2 110.204 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.05 1.95 39.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.777 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 31.34 68.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.56 112.564 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 mt -119.24 119.35 33.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.9 0.381 . . . . 1.09 110.59 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 t -96.47 -173.47 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.391 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 t -58.62 -41.55 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.004 0.431 . . . . 1.55 110.774 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.98 -39.5 93.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.353 0.597 . . . . 2.22 110.541 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -71.2 -35.95 71.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 1.11 109.928 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 52' ' ' ILE . 29.3 mt -60.88 -49.76 76.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.882 -0.599 . . . . 1.42 110.814 175.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.5 71.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.283 0.563 . . . . 0.63 110.585 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 m -69.13 -44.0 73.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.6 110.804 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.36 -45.44 91.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.44 111.096 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 48' ' ' LEU . 68.4 mt -60.55 -37.49 75.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.72 110.424 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m -69.51 -35.05 75.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.376 -0.375 . . . . 1.21 110.803 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.06 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 1.44 110.914 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 tp -87.22 -31.24 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.139 0.495 . . . . 1.22 110.17 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.27 -48.52 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.452 -0.795 . . . . 1.81 110.94 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.32 -9.3 46.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.65 111.936 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.19 -46.03 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.578 -0.283 . . . . 0.58 110.871 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -98.07 -19.05 18.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.141 0.423 . . . . 1.04 112.141 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.04 24.1 76.51 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.72 -0.753 . . . . 1.23 111.572 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 p -86.68 166.21 15.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.779 0.323 . . . . 1.83 111.057 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -89.92 121.64 68.67 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.951 -0.568 . . . . 4.01 109.617 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.4 115.67 3.03 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.298 1.999 . . . . 3.94 111.937 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -85.11 -2.43 57.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.957 -0.565 . . . . 4.03 111.307 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.935 0.398 . . . . 4.87 111.373 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.0 -12.48 33.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 5.89 110.83 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.63 -39.39 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 2.63 111.926 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.04 10.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.158 0.504 . . . . 3.37 110.24 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.75 140.09 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.14 -0.936 . . . . 1.8 112.305 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.0 tp -71.72 -20.09 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 1.51 111.036 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.1 p -69.53 -13.48 62.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 1.59 111.384 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -68.85 -22.26 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 1.94 110.518 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -81.46 96.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.948 -0.569 . . . . 0.67 110.338 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.55 -53.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 0.88 110.086 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -117.98 176.85 5.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.205 -0.452 . . . . 0.65 110.88 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.54 -35.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.607 -0.516 . . . . 0.6 109.607 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.71 71.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.382 -0.827 . . . . 0.36 111.659 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.6 -45.32 85.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.018 0.437 . . . . 2.04 110.816 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.14 -47.23 45.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.53 110.984 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.27 64.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.38 111.742 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -66.72 -23.27 66.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 4.06 111.222 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.85 -53.22 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.413 -0.358 . . . . 0.59 110.376 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -79.6 -20.96 45.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.9 111.303 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -28.17 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.72 110.734 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -81.24 -13.63 58.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 2.83 110.842 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -90.15 114.62 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.744 -0.465 . . . . 3.59 109.744 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.94 22.09 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.346 -0.93 . . . . 2.96 112.945 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 27.1 m -77.07 123.38 87.26 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.955 0.377 . . . . 3.59 110.701 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 88' ' ' VAL . 25.2 Cg_exo -62.07 110.79 1.08 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.641 2.227 . . . . 5.2 111.899 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.18 -82.89 1.05 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.893 -0.67 . . . . 6.5 112.021 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.44 164.12 36.56 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.721 2.281 . . . . 8.43 111.074 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 33.4 t -61.2 118.56 37.56 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.518 -0.31 . . . . 9.92 110.194 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 14.2 Cg_exo -71.75 -4.4 14.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.064 2.509 . . . . 11.69 112.439 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 t70 -115.66 120.23 36.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 12.71 110.288 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 94' ' ' ASP . 32.4 Cg_exo -59.76 -29.93 90.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.072 2.515 . . . . 13.87 113.068 -177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.404 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 42.6 mt -74.2 -44.7 52.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.153 -0.476 . . . . 16.37 110.054 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.15 -31.14 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 13.44 110.528 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.09 -28.82 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 14.0 110.908 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -81.38 -49.1 11.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 17.04 110.097 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.9 tp -87.51 52.25 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.793 0.806 . . . . 17.18 109.607 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -75.85 -51.18 13.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.125 -0.943 . . . . 16.96 110.365 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -98.83 -65.78 0.94 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.869 -0.605 . . . . 18.98 110.202 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -179.25 -65.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.646 -0.706 . . . . 19.25 110.274 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -169.39 -166.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 20.5 109.979 -176.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 66.92 37.3 4.01 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.555 0.693 . . . . 22.61 110.038 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.593 -0.718 . . . . 22.66 110.287 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.08 -0.408 . . . . 5.43 112.08 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.605 ' O ' ' HD3' ' A' ' -1' ' ' PRO . 0.2 OUTLIER -128.22 163.89 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.949 -0.389 . . . . 4.76 109.949 179.757 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -100.73 94.25 3.47 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.13 0.49 . . . . 3.49 110.869 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' -3' ' ' ILE . 14.5 Cg_exo -70.21 -37.06 8.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.329 2.686 . . . . 2.79 113.249 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.18 -27.99 69.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 4.74 111.451 -173.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m -59.7 -41.56 91.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.347 -0.388 . . . . 2.63 111.202 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.15 -40.15 86.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 2.49 110.087 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.05 -50.04 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.789 -0.641 . . . . 2.67 111.076 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.08 -29.5 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.302 -0.408 . . . . 2.94 110.505 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.41 -52.82 50.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 2.67 110.751 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.79 -29.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 1.59 110.477 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.1 tpt -62.98 -44.94 94.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.709 -0.478 . . . . 0.75 109.709 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.0 -38.43 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.36 110.351 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.1 -51.28 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 2.62 110.447 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.11 -45.11 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.607 -0.724 . . . . 1.39 110.686 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HA ' HG22 ' A' ' 14' ' ' VAL . 90.1 t80 -61.75 -45.85 92.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.65 110.833 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.96 -40.6 85.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 0.55 110.799 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.5 -46.1 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.895 -0.593 . . . . 1.37 111.062 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 20.6 m -70.55 -35.71 62.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.84 -0.344 . . . . 1.08 110.469 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.08 -48.57 79.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.183 0.516 . . . . 1.09 110.065 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.08 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.322 -0.853 . . . . 2.01 110.047 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 tp-100 -69.99 -42.35 73.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.976 -0.556 . . . . 1.54 110.598 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 97.6 mt -58.94 -47.34 90.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.914 0.388 . . . . 0.45 110.34 176.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.99 81.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.763 -0.653 . . . . 0.51 110.77 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -62.51 -44.63 95.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 2.35 110.861 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 17' ' ' GLN . 84.5 t -63.6 -43.19 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.675 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.55 -44.69 95.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.67 110.765 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.54 -36.2 87.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.83 -0.623 . . . . 0.94 112.16 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.3 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 1.19 110.841 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.02 -10.32 59.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 3.21 111.087 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.15 76.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.939 -0.648 . . . . 1.22 111.793 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.76 167.62 25.77 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.933 -0.651 . . . . 1.1 112.193 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.23 124.62 14.19 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.844 2.363 . . . . 1.64 112.052 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.1 tp -71.46 109.48 5.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.126 0.488 . . . . 2.51 110.205 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.95 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.592 -0.731 . . . . 1.34 110.703 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.07 90.79 7.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.146 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -77.37 122.69 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.893 -0.594 . . . . 1.31 110.687 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.33 179.86 4.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.583 -0.735 . . . . 2.05 110.163 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -61.37 -41.03 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 112.306 0.484 . . . . 0.7 112.306 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.23 22.65 13.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.913 0.387 . . . . 2.28 111.452 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HB3' HD21 ' A' ' 41' ' ' LEU . 56.5 m -75.75 140.97 42.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.322 -0.399 . . . . 1.17 110.395 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 49.5 mtp180 -94.99 127.97 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.205 0.526 . . . . 3.15 109.816 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CG ' HD21 ' A' ' 48' ' ' LEU . 62.8 m-85 -56.11 -37.46 69.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.985 -1.007 . . . . 0.54 112.424 -172.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -59.42 -42.2 91.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.137 0.494 . . . . 1.63 111.031 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.28 -15.22 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 2.2 110.759 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 36' ' ' SER . 88.5 mt -88.22 -20.79 25.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.48 . . . . 1.44 110.781 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.62 17.34 10.58 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.8 -0.714 . . . . 0.56 112.491 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.3 mm? -105.45 100.19 9.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.829 -0.434 . . . . 1.09 109.829 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -83.54 -173.03 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.204 -0.453 . . . . 1.66 110.344 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 m -57.5 -49.43 76.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 1.55 111.131 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.19 -37.07 86.14 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.247 -0.433 . . . . 2.22 110.759 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.04 -45.74 90.82 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.945 -0.391 . . . . 1.11 109.945 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 38' ' ' PHE . 51.7 mt -63.03 -48.16 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.42 111.211 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.19 -42.32 69.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.63 110.658 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -71.48 -46.06 60.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.6 110.629 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.57 -49.74 76.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.517 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.2 mt -63.64 -38.36 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.711 0.291 . . . . 0.72 110.57 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 35.1 m -70.0 -34.87 73.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 1.21 110.375 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -69.04 -30.67 69.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.862 -0.608 . . . . 1.44 109.837 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.13 -21.72 49.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.568 . . . . 1.22 110.806 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 53' ' ' SER . 25.4 tt0 -62.34 -37.97 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.286 0.565 . . . . 1.81 109.668 173.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 -11.52 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.65 110.672 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.5 t -92.43 -59.11 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.58 110.822 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -96.22 -50.26 4.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.04 111.293 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.19 9.63 76.23 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.064 -0.588 . . . . 1.23 112.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.423 HG21 ' HA3' ' A' ' 87' ' ' GLY . 41.5 p -108.24 165.08 11.76 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.945 -0.15 . . . . 1.83 111.085 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t0 58.72 75.92 0.49 Allowed Pre-proline 0 N--CA 1.469 0.477 0 O-C-N 123.739 0.65 . . . . 4.01 111.05 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.29 161.11 20.91 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.315 2.677 . . . . 3.94 113.208 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 47.5 m-85 -75.64 8.96 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.242 -0.89 . . . . 4.03 112.115 -175.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.44 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.472 -0.566 . . . . 4.87 109.472 172.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -105.77 -22.82 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 5.89 110.384 176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . . . -85.08 18.28 2.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.101 0.477 . . . . 2.63 110.957 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.6 p -80.79 -14.08 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.368 0.604 . . . . 3.37 109.866 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.95 77.14 3.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.481 -0.781 . . . . 1.8 110.495 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.0 tt -73.34 -27.46 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 1.51 111.107 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -69.58 -20.93 63.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 1.59 110.979 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -78.59 -18.43 54.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.003 -0.544 . . . . 1.94 110.261 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.96 89.4 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.67 109.525 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.92 -49.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.093 -0.503 . . . . 0.88 110.609 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 p -107.97 165.79 11.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.65 110.68 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.69 -37.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.826 0.346 . . . . 0.6 110.115 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 81' ' ' ARG . . . -51.76 -44.69 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.36 111.807 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -58.67 -41.13 85.44 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.941 0.401 . . . . 2.04 111.05 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.8 tp -79.42 -40.34 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.53 110.762 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.1 81.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.38 111.176 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 5.7 ptp180 -65.46 -25.53 67.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.733 -0.212 . . . . 4.06 111.016 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.61 28.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.923 0.392 . . . . 0.59 110.563 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -75.44 -23.07 56.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.9 111.531 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 88' ' ' VAL . . . -80.52 -17.68 50.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.345 . . . . 0.72 111.399 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -96.95 -40.0 9.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.323 -0.398 . . . . 2.83 110.556 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -86.55 118.24 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 3.59 110.562 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA3' HG21 ' A' ' 61' ' ' THR . . . 70.78 34.85 66.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.119 -0.562 . . . . 2.96 112.415 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 3.2 p -79.07 131.86 65.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.3 . . . . 3.59 110.323 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.34 108.36 0.68 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.498 2.132 . . . . 5.2 111.357 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.3 161.5 20.68 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.786 -0.721 . . . . 6.5 111.888 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.04 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.52 2.147 . . . . 8.43 111.092 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -67.17 118.16 53.26 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.25 -0.432 . . . . 9.92 110.02 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.49 -8.83 14.93 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.416 2.077 . . . . 11.69 110.89 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . 7.1 p-10 -129.87 59.37 44.53 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.861 -1.063 . . . . 12.71 110.904 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.29 -26.15 17.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.076 1.851 . . . . 13.87 112.269 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 tt -90.72 -43.3 10.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.677 -0.692 . . . . 16.37 109.864 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 8.1 m-20 -66.61 -30.07 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 13.44 111.291 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.31 -21.41 63.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 14.0 110.813 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.86 -55.27 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.312 . . . . 17.04 110.759 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 100' ' ' LEU . 2.7 pt? -87.76 20.25 3.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.204 0.526 . . . . 17.18 110.804 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -81.45 -29.38 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.793 -0.64 . . . . 16.96 109.989 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.86 -28.83 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.686 -0.688 . . . . 18.98 110.645 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.1 tp -86.49 122.89 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.828 -0.624 . . . . 19.25 110.838 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -84.17 109.51 17.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.234 -0.439 . . . . 20.5 109.88 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -92.22 144.97 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.008 0.433 . . . . 22.61 110.838 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.539 -0.744 . . . . 22.66 109.803 179.346 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.701 -0.559 . . . . 5.43 111.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ILE . . . . . 0.405 ' O ' ' HD3' ' A' ' -1' ' ' PRO . 28.8 pt -114.28 157.83 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.987 0.422 . . . . 4.76 111.264 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -112.93 89.15 13.03 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.58 -0.736 . . . . 3.49 109.956 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' -3' ' ' ILE . 48.7 Cg_exo -57.54 -33.78 97.02 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.624 2.883 . . . . 2.79 114.196 -172.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.21 -54.13 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 4.74 110.867 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.94 54.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.052 -0.522 . . . . 2.63 111.147 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.11 -40.26 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 2.49 109.847 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.66 -33.61 73.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 2.67 110.527 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -83.48 -27.22 29.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.175 -0.466 . . . . 2.94 110.672 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -66.0 -48.76 70.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 2.67 110.546 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.01 -29.66 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.992 0.425 . . . . 1.59 110.209 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.49 -41.15 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.013 -0.54 . . . . 0.75 109.745 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.54 -31.85 73.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.68 -0.691 . . . . 1.36 110.842 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.77 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 2.62 110.063 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.46 -41.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 1.39 110.23 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 57.4 t80 -61.72 -38.81 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.651 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.71 -36.55 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.55 110.637 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.05 -43.27 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 1.37 110.947 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 11' ' ' PHE . 15.9 m -70.71 -36.37 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.66 -0.416 . . . . 1.08 110.144 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.28 -46.56 89.83 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.674 -0.491 . . . . 1.09 109.674 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -55.47 -48.36 74.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.236 -0.893 . . . . 2.01 110.129 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -63.25 -46.6 86.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 1.54 111.613 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.4 mt -58.12 -49.0 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.45 110.855 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.13 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.51 110.981 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.45 -46.56 79.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 2.35 110.718 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.83 -60.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.69 111.11 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.29 -45.9 92.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 1.67 111.458 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.31 93.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.052 -0.594 . . . . 0.94 112.96 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 1.19 111.239 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -90.01 6.26 43.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 3.21 111.114 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.18 23.76 73.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.858 -0.686 . . . . 1.22 112.727 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.13 164.78 53.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.934 -0.651 . . . . 1.1 112.015 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 137.09 41.34 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.574 2.183 . . . . 1.64 111.873 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.0 108.69 7.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 2.51 109.843 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 m -113.47 149.28 15.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.716 -0.674 . . . . 1.34 110.587 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.61 93.11 8.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.936 0.398 . . . . 0.98 110.595 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.19 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.519 . . . . 1.31 110.378 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -117.81 157.32 26.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.887 -0.597 . . . . 2.05 109.776 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -68.83 -20.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.186 0.517 . . . . 0.7 110.422 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -100.5 -5.48 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 2.28 111.616 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.5 p -86.28 156.59 20.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.925 0.393 . . . . 1.17 111.293 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HG2' HG12 ' A' ' 74' ' ' VAL . 78.3 mtp180 -86.37 138.89 31.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.828 -0.623 . . . . 3.15 109.771 176.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 90.5 m-85 -56.85 -28.81 62.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.916 -0.584 . . . . 0.54 111.212 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 m -61.03 -34.61 75.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.64 . . . . 1.63 111.214 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.32 -29.64 64.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.014 0.435 . . . . 2.2 110.791 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.99 -6.66 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 1.44 110.291 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.02 35.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.976 -0.63 . . . . 0.56 112.463 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -102.47 108.59 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.807 0.337 . . . . 1.09 110.44 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 t -89.08 -177.38 5.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.158 -0.474 . . . . 1.66 109.786 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -60.34 -41.17 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 1.55 110.529 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.72 -39.81 90.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 2.22 110.747 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.91 -45.73 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 1.11 110.033 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -36.33 82.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.513 -0.767 . . . . 1.42 111.421 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.11 75.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.63 110.403 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 m -69.51 -45.28 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.654 . . . . 0.6 110.613 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.89 -53.38 58.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.568 -0.742 . . . . 0.44 111.228 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.83 -31.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.91 -0.586 . . . . 0.72 110.874 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.7 m -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.21 110.828 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.6 m-20 -69.65 -39.91 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 1.44 110.192 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -38.89 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.756 -0.656 . . . . 1.22 110.352 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.64 -45.51 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.578 -0.737 . . . . 1.81 110.394 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.58 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 0.65 111.554 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.6 t -70.16 -39.58 77.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.58 111.264 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.18 -46.8 6.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.911 0.386 . . . . 1.04 111.398 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.97 82.71 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.317 -0.713 . . . . 1.23 111.317 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -117.93 158.24 25.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.567 -0.316 . . . . 1.83 111.003 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 56.6 72.6 0.94 Allowed Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.156 0.91 . . . . 4.01 112.443 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' ALA . 73.2 Cg_endo -75.07 176.85 9.38 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 123.232 2.621 . . . . 3.94 111.883 175.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 24.7 m-85 -66.85 10.14 0.15 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.776 -0.647 . . . . 4.03 112.408 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' PRO . . . -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.333 . . . . 4.87 110.435 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -110.23 -30.54 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.125 0.488 . . . . 5.89 110.138 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.32 28.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 2.63 111.457 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.3 p -84.13 -19.13 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 3.37 110.001 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.25 66.93 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.708 -0.678 . . . . 1.8 110.747 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.97 -21.02 28.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.869 -0.605 . . . . 1.51 110.543 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -72.33 -22.93 61.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 1.59 110.884 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -90.88 -10.91 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.94 110.309 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -85.41 97.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.463 -0.569 . . . . 0.67 109.463 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.441 HG12 ' HG2' ' A' ' 37' ' ' ARG . 59.6 t -105.98 -60.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.057 -0.519 . . . . 0.88 110.893 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -95.18 156.66 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.099 -0.501 . . . . 0.65 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 61.3 t -63.29 -28.88 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.094 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.66 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.538 -0.755 . . . . 0.36 111.586 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.85 -40.94 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 2.04 111.103 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.0 tp -71.45 -47.01 58.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.53 110.637 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.81 96.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.007 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.53 -31.67 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 4.06 111.034 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.54 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.59 111.165 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.36 -14.41 38.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.9 110.97 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.66 -32.01 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.72 110.893 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -87.96 24.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 2.83 111.336 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -78.72 160.82 27.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.624 -0.51 . . . . 3.59 109.624 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.97 54.7 0.85 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.664 -0.779 . . . . 2.96 111.605 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.72 127.03 31.07 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.987 0.423 . . . . 3.59 110.31 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.44 109.44 1.2 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.864 2.376 . . . . 5.2 112.019 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.45 -169.16 41.89 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.609 -0.805 . . . . 6.5 112.394 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.52 142.55 40.66 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.138 2.559 . . . . 8.43 112.045 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 m -68.6 119.47 68.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 9.92 109.758 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.93 4.94 6.55 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.864 2.376 . . . . 11.69 113.703 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.4 t70 -149.4 110.86 3.43 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.164 -0.309 . . . . 12.71 110.164 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.552 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.9 Cg_exo -68.31 -30.99 29.5 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.661 2.241 . . . . 13.87 112.243 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 3.8 mm? -64.74 -50.5 66.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.058 -0.519 . . . . 16.37 110.591 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.31 -40.87 87.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 13.44 110.942 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.25 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.072 -0.513 . . . . 14.0 110.932 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 95' ' ' PRO . 12.5 mm100 -80.19 -42.94 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.169 -0.469 . . . . 17.04 110.478 177.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -60.89 -25.7 66.9 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.097 0.475 . . . . 17.18 110.823 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -66.0 -52.62 47.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 16.96 111.048 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -90.52 -35.45 15.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 18.98 112.346 -172.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.69 101.07 9.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.816 0.341 . . . . 19.25 110.864 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -84.82 -13.34 51.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.315 0.579 . . . . 20.5 109.535 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -110.01 71.64 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.258 -0.883 . . . . 22.61 109.401 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.405 -0.807 . . . . 22.66 110.652 -177.301 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.904 -0.479 . . . . 5.43 111.904 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 15.0 pt -134.32 151.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.063 0.459 . . . . 4.76 110.744 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 1' ' ' THR . 5.1 m-20 -75.01 131.93 77.99 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.787 -0.642 . . . . 3.49 110.641 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 2' ' ' LEU . 76.2 Cg_exo -51.52 -33.94 49.83 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.416 2.744 . . . . 2.79 112.978 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.05 -43.32 95.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.755 0.312 . . . . 4.74 111.075 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' -2' ' ' ASP . 10.4 t -83.6 -25.35 30.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.657 -0.417 . . . . 2.63 110.038 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' -1' ' ' PRO . 50.3 tp -67.4 -40.69 85.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.374 -0.376 . . . . 2.49 110.854 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.41 -38.88 85.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.181 0.515 . . . . 2.67 109.979 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -76.36 -28.94 57.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 2.94 110.633 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -65.62 -54.89 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 2.67 110.898 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.5 p -63.93 -36.21 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 1.59 110.653 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 tpt -64.67 -39.3 93.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.75 110.076 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.92 -40.62 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 1.36 110.312 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.61 -44.52 93.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.893 -0.594 . . . . 2.62 110.526 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' VAL . 87.0 t -66.99 -43.56 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.958 -0.565 . . . . 1.39 110.879 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HA ' HG22 ' A' ' 14' ' ' VAL . 83.7 t80 -61.63 -42.33 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.558 -0.292 . . . . 0.65 110.797 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.94 -36.56 84.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.55 110.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.59 -53.39 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.607 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.3 m -62.17 -34.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 120.538 0.208 . . . . 1.08 110.871 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.59 -44.81 95.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.094 0.473 . . . . 1.09 110.328 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 11.1 t-160 -74.57 -38.5 62.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.933 -0.576 . . . . 2.01 110.825 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.04 -45.64 92.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 1.54 110.812 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.79 -42.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.45 110.391 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.37 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.51 111.224 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 14.5 mm100 -69.55 -43.99 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 2.35 110.746 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.81 -49.22 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.441 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.43 -38.6 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 1.67 111.087 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.32 -43.6 96.67 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.963 -0.637 . . . . 0.94 112.258 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.61 70.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 1.19 110.925 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -67.69 -27.51 66.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 3.21 110.741 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.08 54.44 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.742 -0.663 . . . . 1.22 111.744 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.47 166.0 29.04 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.896 -0.668 . . . . 1.1 112.084 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.25 137.53 26.13 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.879 2.386 . . . . 1.64 111.807 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.8 pp -63.77 146.03 54.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 2.51 110.572 178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.4 164.28 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.837 0.351 . . . . 1.34 111.326 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 102.72 14.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.916 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 p -90.11 122.17 41.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 1.31 111.438 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.39 169.95 8.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.343 -0.844 . . . . 2.05 109.762 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 tp -70.36 -38.87 75.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.885 0.374 . . . . 0.7 110.753 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -91.86 14.35 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 2.28 110.853 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 t -79.2 144.15 34.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.957 0.408 . . . . 1.17 110.746 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -89.59 133.28 34.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.75 -0.659 . . . . 3.15 109.845 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 m-85 -57.93 -39.03 77.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.149 -0.932 . . . . 0.54 112.411 -173.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.0 m -69.7 -25.64 63.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.24 . . . . 1.63 111.337 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.54 -24.92 45.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.305 0.574 . . . . 2.2 109.784 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.37 -15.33 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 1.44 110.561 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.75 -6.79 25.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.698 -0.763 . . . . 0.56 112.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.74 104.18 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.189 -0.3 . . . . 1.09 110.189 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -78.03 -176.57 4.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.659 -0.497 . . . . 1.66 109.659 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.8 t -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.782 0.325 . . . . 1.55 110.886 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.49 -43.39 73.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.243 -0.435 . . . . 2.22 110.942 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.28 -44.38 95.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.317 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 tp -60.12 -44.04 95.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 1.42 110.556 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.38 86.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.13 0.49 . . . . 0.63 110.613 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -64.16 -41.97 96.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.6 110.436 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.43 -49.45 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.785 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 65.9 mt -58.54 -49.06 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.72 111.112 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.7 m -57.99 -40.22 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.318 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m-80 -72.84 -42.55 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.429 -0.351 . . . . 1.44 111.007 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.26 -40.69 96.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 1.22 110.574 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.06 -43.4 82.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.45 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.36 73.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.65 111.349 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ASN . 74.6 t -58.66 -49.23 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.58 110.746 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.79 -38.51 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 1.04 110.976 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.15 38.7 95.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.772 -0.728 . . . . 1.23 112.016 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 t -156.82 -177.62 6.75 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.005 -0.369 . . . . 1.83 110.005 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.2 109.73 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.456 0 O-C-N 124.391 1.057 . . . . 4.01 111.645 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.1 115.45 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.266 1.978 . . . . 3.94 110.12 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.52 10.87 5.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.125 0.488 . . . . 4.03 111.123 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.08 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 4.87 111.004 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.6 -40.83 17.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.358 -0.383 . . . . 5.89 111.133 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.76 26.93 6.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.371 . . . . 2.63 111.065 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.0 p -70.03 -15.25 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 3.37 111.152 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.46 98.74 0.37 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.157 -0.474 . . . . 1.8 110.79 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.4 -21.18 26.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 1.51 110.731 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -66.63 -25.66 66.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 1.59 111.28 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -86.79 -9.85 54.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.231 -0.44 . . . . 1.94 110.345 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 mm -97.09 89.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.791 -0.448 . . . . 0.67 109.791 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.97 -42.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.18 -0.464 . . . . 0.88 110.547 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 p -107.36 159.64 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.14 -0.482 . . . . 0.65 110.845 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 98.8 t -54.28 -43.0 59.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.894 0.378 . . . . 0.6 110.617 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.0 58.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.446 -0.797 . . . . 0.36 112.085 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.12 -50.96 71.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.438 . . . . 2.04 110.768 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.1 -37.17 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.53 110.607 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.78 71.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.516 . . . . 0.38 111.348 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 11.7 ptm180 -68.11 -19.24 64.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.536 -0.302 . . . . 4.06 111.167 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.12 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.59 110.528 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -84.77 -22.29 29.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.9 111.084 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 81' ' ' ARG . . . -72.88 -8.24 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.72 110.674 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.32 -35.14 75.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.554 -0.748 . . . . 2.83 110.497 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -76.31 146.22 39.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 3.59 109.819 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.33 5.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.956 -0.64 . . . . 2.96 111.57 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.33 140.8 85.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.719 -0.24 . . . . 3.59 110.503 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.15 109.37 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.345 2.03 . . . . 5.2 111.663 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.3 -178.15 27.49 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.747 -0.66 . . . . 6.5 112.123 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.41 119.85 7.0 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.751 2.301 . . . . 8.43 112.302 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 p -100.36 126.65 35.33 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.925 -0.579 . . . . 9.92 110.4 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.75 -33.9 51.94 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.417 2.745 . . . . 11.69 113.23 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.03 116.3 51.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 12.71 110.573 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.77 -8.49 13.4 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.897 2.398 . . . . 13.87 113.498 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.54 -51.36 7.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.599 -0.519 . . . . 16.37 109.599 -175.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.7 -15.83 61.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.243 0.544 . . . . 13.44 109.824 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.06 58.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 14.0 110.445 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -82.12 -49.12 10.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.264 0.554 . . . . 17.04 109.594 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.5 mt -86.84 71.63 10.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.516 -0.765 . . . . 17.18 109.9 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.03 -28.84 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.934 -0.576 . . . . 16.96 111.094 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -98.41 -10.79 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 18.98 110.653 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.2 tp -136.73 52.36 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 19.25 110.646 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.87 145.09 55.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 20.5 110.221 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.48 102.43 11.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.718 0.77 . . . . 22.61 110.307 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.413 -0.812 . . . . 22.66 110.071 -178.06 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.911 -0.476 . . . . 5.43 111.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -105.5 137.24 36.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.559 0.218 . . . . 4.76 110.613 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.657 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 9.1 m-20 -82.49 119.18 74.18 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.371 -0.603 . . . . 3.49 109.371 175.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.43 -30.84 75.22 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.849 2.366 . . . . 2.79 112.351 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -69.82 -49.13 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 4.74 110.867 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.657 ' OG1' ' HB2' ' A' ' -2' ' ' ASP . 27.5 p -73.51 -34.19 65.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.758 0.313 . . . . 2.63 110.642 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.8 -39.41 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 2.49 110.413 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -60.14 -36.73 78.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 2.67 110.113 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 2.94 110.854 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -65.19 -50.2 66.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 2.67 110.569 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.58 -28.94 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.944 0.402 . . . . 1.59 110.223 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.6 tpt -71.78 -39.71 69.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.02 -0.536 . . . . 0.75 109.841 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -36.72 82.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.707 -0.679 . . . . 1.36 110.276 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.87 -49.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 2.62 111.648 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.51 -34.73 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.816 -0.354 . . . . 1.39 110.393 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 14' ' ' VAL . 92.3 t80 -65.96 -41.51 91.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.65 110.056 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.86 -38.57 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.55 110.576 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -66.25 -53.95 30.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.37 110.661 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 11' ' ' PHE . 33.1 m -66.11 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.638 -0.255 . . . . 1.08 111.003 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.04 -50.92 71.78 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.228 0.537 . . . . 1.09 109.885 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.47 -37.99 88.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.535 -0.757 . . . . 2.01 110.439 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.7 tp60 -61.78 -45.61 93.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 1.54 110.363 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.8 mt -62.1 -43.06 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.45 110.365 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.65 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.049 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.93 -41.68 99.55 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.386 -0.37 . . . . 2.35 110.774 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' GLN . 65.0 t -65.26 -44.96 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.69 110.437 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 89.9 mt -59.92 -44.12 94.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.67 110.416 177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.57 -37.29 94.53 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.94 112.188 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.83 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 1.19 110.958 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -74.65 -14.97 60.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 3.21 110.855 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.46 23.04 74.41 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 1.22 111.877 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.19 171.26 28.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.826 -0.702 . . . . 1.1 111.95 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.09 143.19 43.86 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.819 2.346 . . . . 1.64 111.795 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.3 109.32 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.268 -0.424 . . . . 2.51 110.07 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.81 172.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.886 -0.597 . . . . 1.34 110.831 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.42 106.34 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.352 -0.385 . . . . 0.98 110.812 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.16 115.11 42.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.39 0.614 . . . . 1.31 110.651 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' H ' ' HB2' ' A' ' 36' ' ' SER . 46.1 mt-10 -113.73 173.08 6.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.83 -0.623 . . . . 2.05 110.294 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.09 -41.01 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.871 0.323 . . . . 0.7 111.871 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.41 33.86 3.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.458 0.647 . . . . 2.28 109.927 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' HB2' ' H ' ' A' ' 33' ' ' GLU . 7.4 t -89.96 159.81 16.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.097 -0.501 . . . . 1.17 110.257 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' LEU . 60.9 mtm180 -106.99 126.12 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 3.15 110.91 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 83.9 m-85 -54.39 -36.02 63.48 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.497 -0.774 . . . . 0.54 111.185 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -56.21 -45.3 79.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 1.63 111.234 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.12 -31.13 62.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 2.2 110.715 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG . 8.0 mp -68.24 -19.77 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.641 . . . . 1.44 111.254 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 -7.57 21.39 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.679 -0.772 . . . . 0.56 111.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.57 99.48 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.919 0.39 . . . . 1.09 109.957 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -85.69 -170.68 3.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.387 -0.597 . . . . 1.66 109.387 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -54.82 -48.79 72.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.991 0.367 . . . . 1.55 111.991 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.88 -41.71 82.37 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.005 0.431 . . . . 2.22 110.962 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -42.42 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 1.11 109.95 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 52' ' ' ILE . 59.8 tp -62.56 -48.32 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.53 -0.759 . . . . 1.42 110.652 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.94 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 0.63 110.78 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.0 m -68.52 -42.94 77.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.837 -0.62 . . . . 0.6 110.399 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.44 110.67 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 48' ' ' LEU . 46.2 mm -59.26 -48.54 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.72 109.985 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -59.02 -36.48 75.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 1.21 110.942 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.44 110.789 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.03 -36.74 72.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 1.22 110.64 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -56.84 -43.07 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.916 -0.584 . . . . 1.81 109.882 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.68 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.978 -0.556 . . . . 0.65 111.651 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -74.76 -40.84 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.58 111.174 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.36 -48.96 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.971 0.36 . . . . 1.04 111.971 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.31 -10.36 71.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.935 -0.65 . . . . 1.23 111.642 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -115.6 124.24 50.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.622 -0.289 . . . . 1.83 110.829 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -157.83 93.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.29 -0.414 . . . . 4.01 110.604 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -93.71 116.6 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.21 2.607 . . . . 3.94 112.431 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 54.1 m-85 -73.81 5.01 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 4.03 111.449 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.11 93.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.091 0.472 . . . . 4.87 109.783 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.77 -30.48 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 5.89 110.792 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.25 15.57 1.17 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.251 0.548 . . . . 2.63 111.519 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.621 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.9 p -77.21 -16.12 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.3 0.572 . . . . 3.37 110.09 176.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.31 65.13 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.939 -0.573 . . . . 1.8 111.285 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 70' ' ' ILE . 14.3 mm -70.06 -31.82 49.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 1.51 110.15 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -60.11 -31.41 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.707 -0.679 . . . . 1.59 111.062 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -78.24 -17.67 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 1.94 110.398 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.58 87.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.374 0.607 . . . . 0.67 109.832 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 58.9 t -128.87 -45.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.838 -0.801 . . . . 0.88 108.838 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 36' ' ' SER . 21.8 m -83.15 134.76 34.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.168 -0.924 . . . . 0.65 109.111 173.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 t -58.09 -36.27 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.982 -0.554 . . . . 0.6 111.356 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -30.96 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.36 111.814 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.25 -47.4 73.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.095 0.474 . . . . 2.04 109.818 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.66 -42.53 95.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.53 110.421 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.24 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.38 110.588 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.77 -39.71 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 4.06 110.774 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.01 86.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.59 111.677 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -90.56 -10.2 44.32 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.907 -0.317 . . . . 0.9 111.745 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.08 -23.74 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.685 0.279 . . . . 0.72 110.957 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.4 12.62 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 2.83 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.5 161.08 19.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.372 -0.376 . . . . 3.59 110.082 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.03 38.28 23.18 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.682 -0.771 . . . . 2.96 111.608 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 m -68.52 137.73 91.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.647 0.26 . . . . 3.59 111.479 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.57 109.2 1.78 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.619 2.212 . . . . 5.2 111.125 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.01 168.72 28.93 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.679 -0.772 . . . . 6.5 112.428 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.1 144.2 51.51 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.835 2.357 . . . . 8.43 111.445 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 t -77.59 119.71 78.51 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 109.959 -0.385 . . . . 9.92 109.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.18 -6.62 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.559 2.172 . . . . 11.69 112.369 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -117.73 97.64 50.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.554 0.692 . . . . 12.71 110.591 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.25 -18.08 18.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.417 2.078 . . . . 13.87 113.095 -175.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.05 -51.11 50.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.738 0.304 . . . . 16.37 110.947 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.97 -26.76 61.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 13.44 110.506 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.82 61.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 14.0 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 17.04 111.693 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 103' ' ' LEU . 3.2 mm? 56.3 42.23 28.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.674 -0.694 . . . . 17.18 111.582 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -69.74 -29.97 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.291 0.567 . . . . 16.96 110.336 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.91 -22.18 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.376 -0.829 . . . . 18.98 110.637 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 100' ' ' LEU . 84.5 mt -108.35 5.66 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 19.25 110.762 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -87.18 -37.44 17.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.442 0.639 . . . . 20.5 109.991 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -137.05 148.56 46.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.159 -0.928 . . . . 22.61 109.933 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.737 -0.649 . . . . 22.66 109.937 179.03 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.862 -0.495 . . . . 5.43 111.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.7 85.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.042 0.449 . . . . 4.76 110.622 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.569 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 13.7 m-20 -71.55 152.7 93.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.937 -0.574 . . . . 3.49 110.133 175.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.19 -60.24 0.93 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.166 2.577 . . . . 2.79 113.21 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.409 . . . . 4.74 110.652 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' -2' ' ' ASP . 27.5 m -63.84 -39.77 95.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.153 -0.476 . . . . 2.63 110.869 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.46 -41.34 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 2.49 110.241 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.78 -45.76 92.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.732 -0.667 . . . . 2.67 110.375 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -66.16 -40.83 90.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 2.94 110.573 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.35 -50.52 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.475 . . . . 2.67 110.953 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.2 p -67.43 -36.64 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.885 -0.326 . . . . 1.59 110.597 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.86 -42.45 90.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.75 110.368 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.17 -41.56 99.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.36 110.01 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -60.51 -44.32 96.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 2.62 110.504 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' ALA . 91.5 t -62.8 -51.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.932 -0.577 . . . . 1.39 110.7 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.02 -36.17 80.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.65 110.581 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.61 -43.89 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.082 0.468 . . . . 0.55 110.418 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 51.8 tp60 -70.91 -40.52 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.545 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 10' ' ' VAL . 99.8 t -61.26 -46.2 97.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.933 -0.395 . . . . 1.08 109.933 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.63 -44.78 69.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.742 -0.663 . . . . 1.09 110.5 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 56.9 t-80 -59.79 -40.8 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 2.01 110.889 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 9.3 mm100 -73.08 -34.32 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 1.54 110.623 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.2 mt -65.59 -42.16 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.853 -0.425 . . . . 0.45 109.853 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.88 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.51 110.575 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 15.2 mm-40 -54.96 -47.38 74.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.993 -0.549 . . . . 2.35 110.42 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 61.0 t -60.34 -63.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.637 . . . . 0.69 110.988 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.04 -41.46 87.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.504 -0.316 . . . . 1.67 111.325 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -48.06 79.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.952 -0.642 . . . . 0.94 112.659 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -19.81 61.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.733 0.272 . . . . 1.19 111.733 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 31.5 mmmt -76.67 -22.03 54.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.907 0.384 . . . . 3.21 110.82 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.96 18.62 77.81 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.847 -0.615 . . . . 1.22 112.035 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.18 -153.79 30.52 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.849 -0.691 . . . . 1.1 112.479 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.65 131.17 12.21 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.664 2.242 . . . . 1.64 112.029 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.07 109.97 19.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 2.51 110.542 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.91 162.23 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.915 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.98 114.54 26.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.98 110.364 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.14 125.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 1.31 111.144 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -116.65 175.45 5.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.673 -0.694 . . . . 2.05 109.833 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.97 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.936 -0.305 . . . . 0.7 111.387 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -96.44 19.21 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.776 0.287 . . . . 2.28 111.776 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -70.73 129.29 38.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.043 0.449 . . . . 1.17 111.261 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.9 mtp180 -81.26 128.39 33.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.494 -0.775 . . . . 3.15 109.098 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -57.93 -32.85 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.54 111.81 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 p -64.22 -43.22 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.6 . . . . 1.63 110.784 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.48 -22.4 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.41 -0.814 . . . . 2.2 110.47 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -78.39 -21.08 49.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.589 . . . . 1.44 110.691 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.74 13.65 15.88 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.585 -0.817 . . . . 0.56 113.074 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.42 115.0 26.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.831 0.348 . . . . 1.09 110.121 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -77.89 175.36 10.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 1.66 109.635 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -54.99 -50.77 68.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.819 0.343 . . . . 1.55 110.915 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.52 -35.5 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 2.22 110.993 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.42 -41.68 88.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.11 110.433 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.3 tp -63.25 -45.17 92.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 1.42 110.014 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.19 87.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.63 110.907 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.2 m -65.42 -42.25 92.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.6 110.075 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.3 tp -58.71 -38.89 79.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.44 110.575 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 48' ' ' LEU . 50.8 mm -58.89 -42.95 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.72 110.379 177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 t -65.51 -41.76 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 1.21 110.55 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.52 -31.71 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 1.44 111.053 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.9 -32.37 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 1.22 110.074 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.49 -38.0 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 1.81 110.283 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.76 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.65 111.68 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.9 -55.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.78 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -89.57 -20.1 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.952 0.353 . . . . 1.04 111.952 -174.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.46 25.5 75.18 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 116.132 -0.486 . . . . 1.23 112.852 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -131.82 145.14 51.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 1.83 111.616 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -150.09 84.32 5.84 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-O 121.628 0.728 . . . . 4.01 111.162 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -93.25 115.2 0.28 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.717 2.278 . . . . 3.94 111.666 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -105.42 10.84 33.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.604 -0.271 . . . . 4.03 111.623 -175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.88 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.946 0.403 . . . . 4.87 110.078 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -91.98 -19.07 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 5.89 110.782 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.74 28.94 7.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 2.63 111.667 -175.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.65 -34.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 3.37 111.215 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -105.7 99.64 9.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.92 0.391 . . . . 1.8 110.436 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.27 -21.94 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.323 0.582 . . . . 1.51 110.388 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -71.3 -12.82 61.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 1.59 111.509 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -80.5 -11.32 59.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.346 . . . . 1.94 110.833 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.2 mm -83.98 91.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.492 -0.559 . . . . 0.67 109.492 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 48.5 t -89.55 -52.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.199 -0.455 . . . . 0.88 110.577 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -103.47 160.23 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.231 -0.44 . . . . 0.65 110.844 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.4 -31.39 53.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.045 0.45 . . . . 0.6 110.088 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.52 -48.03 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.36 112.006 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.045 0.45 . . . . 2.04 110.793 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.84 -40.33 72.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.53 110.579 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.53 98.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.38 110.765 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 52.8 mtp180 -57.15 -41.49 79.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.156 -0.475 . . . . 4.06 110.933 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.21 82.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.59 111.131 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -81.45 -9.39 59.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.9 111.818 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HA ' HG21 ' A' ' 10' ' ' VAL . . . -78.2 -37.92 44.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.911 0.386 . . . . 0.72 110.472 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -75.57 -28.03 58.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.075 -0.511 . . . . 2.83 110.094 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -73.22 161.33 30.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 3.59 110.677 177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.99 28.48 3.62 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.836 -0.697 . . . . 2.96 111.604 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.26 133.96 29.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 3.59 110.731 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.36 109.69 0.68 Allowed 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 123.01 2.473 . . . . 5.2 111.988 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.12 2.15 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.773 -0.649 . . . . 6.5 111.703 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.97 121.49 10.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.448 2.098 . . . . 8.43 111.816 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 p -77.75 118.92 75.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.178 -0.464 . . . . 9.92 110.861 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.63 -33.87 53.84 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.69 2.26 . . . . 11.69 110.933 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 t70 65.82 113.89 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.272 0 O-C-N 124.17 0.919 . . . . 12.71 111.168 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 39.8 Cg_endo -66.76 -15.01 46.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.731 2.287 . . . . 13.87 113.099 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.4 mt -87.82 -41.17 13.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.499 -0.556 . . . . 16.37 109.499 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.59 -38.93 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 13.44 110.575 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.49 -1.03 16.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.753 -0.658 . . . . 14.0 112.103 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 95' ' ' PRO . 76.0 mt-30 -84.39 7.18 20.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.631 0.234 . . . . 17.04 111.631 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 2.6 pt? -59.8 125.74 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.998 0.428 . . . . 17.18 110.092 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 105' ' ' GLN . 10.0 tpp180 -96.25 -2.16 46.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.204 0.526 . . . . 16.96 109.963 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -54.48 -39.21 67.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.299 -0.864 . . . . 18.98 110.241 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -102.02 123.48 45.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.814 . . . . 19.25 109.76 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 65.48 71.64 0.43 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.168 0.509 . . . . 20.5 110.904 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.523 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 16.4 pt20 -104.29 -14.92 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 22.61 111.05 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.52 -0.753 . . . . 22.66 110.244 -177.457 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.542 -0.623 . . . . 5.43 111.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.2 36.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.62 0.724 . . . . 4.76 110.313 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -73.36 114.75 34.44 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.797 -1.092 . . . . 3.49 110.946 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.65 -17.05 38.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.535 2.157 . . . . 2.79 111.404 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -67.55 -16.74 64.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.152 -0.931 . . . . 4.74 111.064 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.1 p -59.4 -29.91 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 2.63 111.167 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.86 -36.6 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 2.49 110.863 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -63.6 -40.6 97.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 2.67 110.18 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -77.46 -37.54 51.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 2.94 110.235 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.22 -44.97 95.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 2.67 111.122 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.35 -33.76 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 1.59 110.789 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tpt -66.71 -43.87 83.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.75 110.077 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.39 -29.99 67.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.714 -0.675 . . . . 1.36 110.488 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.35 -53.27 51.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.822 -0.627 . . . . 2.62 110.572 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.0 -30.82 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.407 -0.36 . . . . 1.39 110.78 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' HA ' HG22 ' A' ' 14' ' ' VAL . 70.6 t80 -64.87 -40.73 95.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.985 0.422 . . . . 0.65 110.236 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.33 -39.1 91.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.106 0.479 . . . . 0.55 110.277 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.54 -50.82 61.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 1.37 110.835 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.3 m -62.91 -33.31 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.098 0 C-N-CA 121.229 -0.188 . . . . 1.08 110.824 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.03 -49.99 75.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 1.09 109.888 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -63.03 -40.55 98.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.695 -0.684 . . . . 2.01 110.355 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.2 mm100 -57.44 -53.45 57.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 1.54 110.658 176.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.1 mt -58.92 -44.17 90.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.45 110.71 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.93 93.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.51 111.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.09 -37.86 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.632 -0.258 . . . . 2.35 111.233 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 17' ' ' GLN . 73.3 t -62.0 -49.55 83.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.811 0.339 . . . . 0.69 110.573 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 1.67 110.43 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -42.75 97.24 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 116.019 -0.537 . . . . 0.94 112.586 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.095 0.474 . . . . 1.19 110.523 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -72.82 -24.59 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 3.21 110.529 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.06 24.34 55.23 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.242 -0.743 . . . . 1.22 111.242 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.56 176.92 40.27 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.611 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.86 124.51 12.38 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.02 2.48 . . . . 1.64 112.32 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.67 109.15 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.127 -0.488 . . . . 2.51 110.218 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.67 152.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 1.34 111.277 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 97.28 7.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.98 109.925 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.89 128.89 38.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.898 -0.592 . . . . 1.31 111.24 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -115.69 172.57 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.508 . . . . 2.05 110.181 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.884 0.374 . . . . 0.7 111.922 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -100.95 18.2 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.633 -0.258 . . . . 2.28 111.481 -173.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 m -78.56 141.0 38.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.765 0.317 . . . . 1.17 111.069 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 98.5 mtt180 -91.68 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 3.15 109.927 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -62.84 -28.65 70.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.54 111.933 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -59.98 -45.68 91.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 1.63 110.712 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.3 -10.92 59.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.667 -0.697 . . . . 2.2 110.852 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 93.7 mt -88.02 -6.51 57.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.118 -0.492 . . . . 1.44 110.868 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.26 37.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.619 -0.801 . . . . 0.56 112.961 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 47' ' ' ASP . 2.7 mm? -96.89 127.55 42.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.059 -0.349 . . . . 1.09 110.059 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -93.14 -173.27 3.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.127 -0.323 . . . . 1.66 110.127 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -54.46 -51.29 65.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.053 0.39 . . . . 1.55 112.053 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.61 -39.71 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.528 0.204 . . . . 2.22 110.744 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HB3' HD12 ' A' ' 43' ' ' LEU . 17.3 m-20 -59.92 -42.5 94.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.11 110.447 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 52' ' ' ILE . 7.3 tt -58.34 -50.47 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 1.42 109.896 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.65 97.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.63 110.809 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.7 m -62.73 -39.78 95.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.6 110.621 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.88 -44.16 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.44 110.398 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 48' ' ' LEU . 46.2 mt -65.33 -43.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.516 . . . . 0.72 110.096 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -56.08 -41.74 75.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 1.21 110.563 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.4 m-20 -68.46 -38.09 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.44 110.926 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.19 -35.68 71.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 1.22 110.681 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.04 -34.9 74.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 1.81 110.35 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.56 60.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.65 111.267 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.9 t -76.65 -50.98 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.58 110.992 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -87.0 -37.2 17.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.96 0.356 . . . . 1.04 111.96 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.54 -15.4 41.29 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.243 -0.743 . . . . 1.23 111.243 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.8 p -110.4 121.59 45.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.438 . . . . 1.83 110.429 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -148.3 130.73 7.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 4.01 111.024 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -88.34 113.66 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.432 2.088 . . . . 3.94 111.812 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.17 -16.52 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 4.03 111.938 -175.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.36 63.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.476 0.655 . . . . 4.87 109.651 176.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.44 -12.75 27.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.15 -0.932 . . . . 5.89 110.405 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.65 28.66 8.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.978 -0.555 . . . . 2.63 111.167 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.87 -44.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 3.37 110.109 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.21 108.69 21.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.813 -0.631 . . . . 1.8 109.893 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.7 tp -64.01 -25.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.51 110.972 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -75.1 1.78 12.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.154 -0.476 . . . . 1.59 111.572 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -76.3 -26.42 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 1.94 110.334 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mm -83.59 93.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.934 -0.575 . . . . 0.67 110.02 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.09 -53.34 7.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.511 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.8 p -107.5 168.06 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 0.65 111.142 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.03 -39.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.977 0.418 . . . . 0.6 110.188 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.2 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.36 111.645 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.32 -41.85 89.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 2.04 110.866 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.56 -43.22 49.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.53 110.347 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.67 98.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.38 111.05 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 81' ' ' ARG . 39.8 ttp180 -56.51 -39.15 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 4.06 111.462 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.59 111.421 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -90.35 -12.16 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.33 -0.395 . . . . 0.9 111.256 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.57 -39.46 37.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.72 110.044 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -96.12 19.23 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 2.83 110.831 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -66.16 146.9 54.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.827 0.346 . . . . 3.59 110.107 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.3 -4.35 37.9 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.308 -0.717 . . . . 2.96 111.308 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.23 131.68 95.11 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 120.845 0.355 . . . . 3.59 110.53 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.63 108.8 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.806 2.337 . . . . 5.2 111.856 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.43 81.92 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.761 -0.654 . . . . 6.5 111.771 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.56 149.91 39.63 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.529 2.153 . . . . 8.43 111.725 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 m -74.64 123.49 89.09 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.321 -0.4 . . . . 9.92 109.973 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -62.01 -25.82 78.03 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.808 2.339 . . . . 11.69 112.404 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -83.43 122.4 77.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.426 . . . . 12.71 110.122 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.28 -15.99 35.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.358 2.039 . . . . 13.87 111.764 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 24.9 mt -80.05 -20.2 45.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.465 -0.788 . . . . 16.37 110.529 -178.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.65 -59.21 5.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.932 -0.576 . . . . 13.44 111.106 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.14 -19.19 47.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.342 -0.39 . . . . 14.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.35 -39.97 94.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 17.04 110.877 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.2 mt -67.04 -18.94 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.889 0.376 . . . . 17.18 111.258 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 101' ' ' ARG . 51.2 mtt85 -94.39 -7.86 40.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.134 0.493 . . . . 16.96 110.16 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -98.82 -36.28 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.643 . . . . 18.98 109.485 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.22 128.4 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.596 -0.729 . . . . 19.25 110.35 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.42 39.38 0.97 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.119 0.485 . . . . 20.5 109.891 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -115.66 5.88 14.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 22.61 110.786 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.702 -0.666 . . . . 22.66 109.974 -178.435 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.92 -0.472 . . . . 5.43 111.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.0 pt -99.83 124.66 53.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 4.76 110.692 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.37 157.61 89.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.788 -0.642 . . . . 3.49 109.739 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.0 -42.38 15.77 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.899 2.399 . . . . 2.79 112.286 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -55.9 -54.05 49.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 4.74 111.23 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 1.2 p -78.41 -21.33 49.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.63 111.426 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.33 -41.46 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.421 . . . . 2.49 110.653 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 7' ' ' MET . 50.2 m-80 -69.74 -25.86 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 2.67 110.432 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -79.6 -33.64 41.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 2.94 110.244 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 1' ' ' THR . 87.0 mm-40 -63.32 -53.19 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 2.67 110.732 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 12.0 p -65.78 -27.39 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 1.59 110.484 178.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 12.4 tpt -74.21 -34.19 63.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.75 110.46 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.74 -29.14 58.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.52 . . . . 1.36 109.705 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 41.3 tt0 -58.41 -56.87 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.499 -0.773 . . . . 2.62 110.411 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -31.19 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.19 -0.459 . . . . 1.39 110.626 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.3 . . . . 0.65 110.811 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.35 -36.93 81.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 0.55 109.982 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.515 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.7 tp-100 -62.45 -55.15 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 1.37 110.793 177.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.3 m -67.8 -33.62 62.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.612 -0.267 . . . . 1.08 111.355 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.14 -46.99 87.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.922 0.392 . . . . 1.09 110.096 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -62.7 -39.2 93.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.769 -0.65 . . . . 2.01 110.199 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 21' ' ' VAL . 88.2 mm-40 -66.54 -44.73 81.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 14' ' ' VAL . 82.6 mt -62.49 -46.39 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.45 110.416 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.21 -32.84 73.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.51 110.84 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -68.05 -48.97 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 2.35 110.543 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.5 t -58.19 -47.59 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.69 110.799 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.26 -44.56 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.67 110.772 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -38.1 89.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.158 -0.544 . . . . 0.94 112.647 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.33 77.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.043 0.449 . . . . 1.19 110.715 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.83 -40.51 63.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.011 -0.54 . . . . 3.21 109.773 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 15.75 7.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.919 -0.658 . . . . 1.22 112.412 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.04 172.91 29.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.87 -0.681 . . . . 1.1 112.067 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.04 146.55 41.6 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.615 2.21 . . . . 1.64 111.74 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.46 107.97 9.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.1 0.476 . . . . 2.51 109.988 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -79.49 150.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.56 -0.745 . . . . 1.34 110.126 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.94 108.16 3.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.98 110.214 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.49 119.8 26.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.032 -0.531 . . . . 1.31 110.654 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 31.3 mt-10 -120.38 145.37 47.24 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.858 -0.793 . . . . 2.05 108.858 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -71.87 -24.0 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 0.7 111.694 -171.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -98.85 5.75 47.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.575 . . . . 2.28 110.153 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 34.3 t -83.94 160.95 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.012 -0.54 . . . . 1.17 110.181 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 37' ' ' ARG . 46.9 mtm180 -103.55 140.76 37.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.006 -0.543 . . . . 3.15 110.111 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 96.3 m-85 -61.53 -41.54 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.54 111.283 -176.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 21.0 t -69.66 -22.2 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.263 -0.426 . . . . 1.63 110.415 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.7 -33.99 34.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.103 0.478 . . . . 2.2 110.181 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.58 -18.66 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.664 -0.698 . . . . 1.44 111.07 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.98 3.8 17.33 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.631 -0.795 . . . . 0.56 112.661 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.0 mm? -87.04 115.2 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.31 -0.626 . . . . 1.09 109.31 176.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 t -76.49 -177.91 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.925 -0.398 . . . . 1.66 109.925 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -52.38 -51.23 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.393 -0.367 . . . . 1.55 111.551 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.66 -41.71 87.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 2.22 110.625 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 43' ' ' LEU . 67.7 m-20 -59.54 -41.28 89.71 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.978 -0.555 . . . . 1.11 110.509 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.8 tt -59.63 -49.08 79.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.762 -0.653 . . . . 1.42 109.881 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.63 111.239 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.2 m -65.8 -38.63 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.653 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.03 -40.0 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.44 110.282 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' LEU . 60.1 mt -58.94 -45.96 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.72 110.099 175.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 t -64.85 -22.79 67.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 1.21 111.009 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 58' ' ' VAL . 11.9 m120 -67.38 -47.01 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.189 -0.301 . . . . 1.44 110.189 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.14 -34.04 76.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.345 . . . . 1.22 110.249 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.04 -49.2 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.759 -0.655 . . . . 1.81 110.366 172.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.65 111.337 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.1 t -60.04 -56.84 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.58 111.417 -179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 83' ' ' TYR . 94.5 m-85 -80.39 -15.04 57.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 1.04 111.631 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.47 24.48 69.37 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.872 -0.891 . . . . 1.23 110.872 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 3.1 m -147.69 142.3 26.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.959 -0.62 . . . . 1.83 109.61 -173.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 61' ' ' THR . 29.9 t70 169.32 104.6 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 124.218 0.949 . . . . 4.01 110.635 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -89.18 115.79 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.019 2.479 . . . . 3.94 110.475 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.84 -2.71 24.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.063 0.459 . . . . 4.03 110.906 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 4.87 110.006 172.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -84.16 -35.77 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 5.89 110.56 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.61 28.71 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 2.63 110.648 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.35 -24.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.668 -0.696 . . . . 3.37 111.138 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.11 91.54 3.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.927 0.394 . . . . 1.8 110.731 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tp -63.42 -30.7 50.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.91 -0.586 . . . . 1.51 110.862 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 p -68.23 -16.72 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.049 -0.523 . . . . 1.59 111.976 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -79.17 -15.38 58.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 1.94 111.1 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.04 89.67 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.142 0.496 . . . . 0.67 109.697 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.0 -60.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.88 110.794 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -111.27 170.62 7.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.227 -0.442 . . . . 0.65 111.522 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 t -61.36 -40.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.576 -0.284 . . . . 0.6 110.859 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.44 56.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.36 112.209 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.06 -53.82 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 2.04 110.387 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.7 tp -69.77 -33.43 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.681 -0.691 . . . . 0.53 110.751 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.4 -51.89 65.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.38 111.004 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -62.27 -32.74 73.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.854 0.359 . . . . 4.06 110.719 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.98 15.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.59 111.042 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 38.5 m-85 -79.58 -9.53 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.097 0.406 . . . . 0.9 112.097 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.56 61.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.72 110.236 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -105.67 -24.53 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.958 -0.564 . . . . 2.83 111.246 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -90.26 122.69 33.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.805 0.336 . . . . 3.59 111.302 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.26 12.96 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.728 -0.749 . . . . 2.96 112.541 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.91 121.62 2.97 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.464 0.649 . . . . 3.59 111.649 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.19 108.44 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.096 2.531 . . . . 5.2 111.573 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.83 -148.5 6.31 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.643 -0.789 . . . . 6.5 111.684 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.23 129.6 32.31 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.559 2.173 . . . . 8.43 111.56 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.1 m -86.33 129.05 54.93 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 110.086 -0.338 . . . . 9.92 110.086 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.09 -13.93 39.45 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.695 2.263 . . . . 11.69 112.382 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 96' ' ' LEU . 11.8 t70 -149.06 124.99 5.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 12.71 109.748 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.02 -22.23 55.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.901 2.401 . . . . 13.87 113.541 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 7.1 mp -77.68 -44.52 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.553 -0.536 . . . . 16.37 109.553 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -68.79 -23.82 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 13.44 110.401 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 14.0 110.3 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.98 -25.72 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 17.04 110.47 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 103' ' ' LEU . 95.5 mt -66.9 -19.93 65.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 17.18 110.67 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -82.51 -0.94 48.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 16.96 110.74 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.72 -18.17 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 18.98 110.546 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 100' ' ' LEU . 3.2 mm? -80.42 86.2 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 19.25 110.699 -178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -122.86 158.04 31.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.974 -0.38 . . . . 20.5 109.974 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 61.89 75.2 0.41 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.256 0.551 . . . . 22.61 110.329 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.524 -0.762 . . . . 22.66 110.148 -177.777 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.782 -0.527 . . . . 5.43 111.782 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 29.2 mt -86.49 63.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.65 0.738 . . . . 4.76 109.254 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.439 ' HB2' HG22 ' A' ' 1' ' ' THR . 17.8 m-20 -80.54 114.42 47.5 Favored Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 115.116 -0.947 . . . . 3.49 109.911 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.53 -27.51 76.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.934 2.423 . . . . 2.79 112.752 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -67.68 -54.83 16.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.587 -0.279 . . . . 4.74 110.995 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 15.1 t -67.02 -34.91 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.541 -0.464 . . . . 2.63 110.578 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.36 -40.5 96.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.915 0.388 . . . . 2.49 110.469 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.87 -41.84 97.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 2.67 110.047 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -64.66 -42.5 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 2.94 111.156 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 1' ' ' THR . 55.8 mt-30 -61.04 -47.5 86.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 2.67 111.349 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.68 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 1.59 110.418 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.8 tpt -69.92 -43.57 71.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.75 110.187 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.89 -28.58 69.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.174 0.511 . . . . 1.36 110.214 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -69.12 -50.42 48.21 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.803 -0.635 . . . . 2.62 110.681 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.46 -35.96 64.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 1.39 110.696 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 80.7 t80 -61.74 -42.01 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.65 110.143 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.99 -42.5 90.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.55 110.558 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.87 -48.24 59.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 1.37 111.152 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -63.89 -37.49 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.718 -0.393 . . . . 1.08 110.737 -178.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.53 -43.01 98.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.283 0.564 . . . . 1.09 109.606 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -57.45 -38.58 74.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.078 -0.964 . . . . 2.01 110.744 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.5 mm100 -72.34 -43.5 64.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.391 -0.368 . . . . 1.54 110.689 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 14' ' ' VAL . 88.6 mt -59.88 -44.29 93.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.353 -0.385 . . . . 0.45 110.561 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.51 111.204 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.29 -42.71 83.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 2.35 111.148 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.9 t -63.98 -48.32 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.69 110.685 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.71 -44.06 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 1.67 110.527 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.81 99.64 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.454 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -28.34 67.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 1.19 111.353 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -89.21 -12.71 40.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.297 . . . . 3.21 111.393 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.52 34.11 32.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.782 -0.723 . . . . 1.22 111.721 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 164.16 29.35 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.175 -0.536 . . . . 1.1 112.017 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.82 144.47 24.53 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.642 2.228 . . . . 1.64 112.508 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 109.5 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.422 -0.585 . . . . 2.51 109.422 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG21 ' HG ' ' A' ' 41' ' ' LEU . 27.6 m -110.29 165.06 6.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.789 -0.641 . . . . 1.34 111.1 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.62 89.21 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.102 -0.499 . . . . 0.98 110.261 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.92 114.27 21.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.924 -0.58 . . . . 1.31 111.326 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -105.34 173.68 6.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 2.05 110.036 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.8 tp -66.77 -36.39 77.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.838 0.351 . . . . 0.7 111.336 -176.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -91.26 11.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.691 0.281 . . . . 2.28 111.566 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -80.12 133.0 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.988 0.423 . . . . 1.17 111.229 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 68.3 mtm180 -79.96 136.15 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 3.15 109.687 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 63.2 m-85 -60.78 -27.09 67.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.54 111.371 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -59.82 -45.44 92.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 1.63 110.951 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 31.3 m-20 -67.28 -36.53 81.76 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.91 0.386 . . . . 2.2 111.075 -175.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 30' ' ' VAL . 10.7 mp -75.27 -21.3 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.44 111.737 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.02 31.94 3.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.401 -0.904 . . . . 0.56 112.64 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.0 mm? -113.79 123.56 50.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.763 -0.458 . . . . 1.09 109.763 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.4 p -99.8 -172.56 2.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.859 -0.423 . . . . 1.66 109.859 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -60.82 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 1.55 110.485 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.9 -38.89 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 2.22 110.583 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.547 ' HB3' HD12 ' A' ' 43' ' ' LEU . 15.6 m-20 -63.96 -44.59 92.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.11 109.887 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.3 -40.38 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.835 -0.62 . . . . 1.42 110.843 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.26 83.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.63 110.276 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -66.45 -42.76 87.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.298 -0.41 . . . . 0.6 110.563 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -58.22 -51.73 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.44 111.278 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -36.46 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.39 . . . . 0.72 110.791 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -62.04 -39.66 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.434 . . . . 1.21 110.471 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.9 m-20 -65.49 -41.15 93.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 1.44 110.519 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 1.22 110.397 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 61' ' ' THR . 25.8 tt0 -57.08 -47.55 80.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.105 173.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -10.86 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.65 111.611 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ASN . 88.9 t -80.48 -55.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.494 -0.321 . . . . 0.58 110.652 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -92.86 -26.81 17.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 1.04 111.978 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.91 13.24 72.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.836 -0.697 . . . . 1.23 111.482 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 5.4 p -90.24 -176.75 4.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.849 0.357 . . . . 1.83 111.307 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.05 134.8 28.04 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.081 0.467 . . . . 4.01 111.35 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.28 156.72 19.61 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.464 2.776 . . . . 3.94 112.939 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.674 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 88.8 m-85 -88.63 5.67 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 4.03 111.816 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.506 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . . . -66.23 -43.1 87.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.082 0.468 . . . . 4.87 110.885 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -110.09 -21.62 12.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.599 . . . . 5.89 110.732 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . . . -64.37 -69.56 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.809 -0.632 . . . . 2.63 111.862 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.25 -72.33 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.853 -0.339 . . . . 3.37 111.144 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.28 122.7 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.897 -0.592 . . . . 1.8 110.047 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 12.7 tt -79.37 -17.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.619 0.723 . . . . 1.51 109.725 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p -75.49 -13.85 60.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.285 -0.871 . . . . 1.59 110.854 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -85.57 -9.71 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 1.94 110.223 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm -83.49 89.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.654 -0.498 . . . . 0.67 109.654 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -88.11 -59.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.625 . . . . 0.88 110.772 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 p -110.68 170.11 8.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.65 111.015 -177.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.6 109.67 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -51.3 -45.34 62.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.276 -0.875 . . . . 0.36 111.728 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -60.04 -44.72 94.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 2.04 111.091 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.7 tp -76.56 -43.82 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.53 111.02 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.28 80.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.38 111.107 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -64.57 -38.37 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 4.06 110.323 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HB1' ' CZ ' ' A' ' 64' ' ' PHE . . . -57.04 -53.97 51.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.59 110.975 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -74.08 -10.58 59.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.792 0.293 . . . . 0.9 111.792 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.49 31.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.187 0.517 . . . . 0.72 110.213 174.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -95.93 -3.88 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 2.83 110.779 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 17.0 mm100 -90.5 142.98 27.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.712 0.291 . . . . 3.59 110.32 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.72 4.89 89.52 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.022 -0.608 . . . . 2.96 112.718 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -84.46 147.73 50.47 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.723 -0.28 . . . . 3.59 110.518 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.49 121.97 9.32 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.603 2.202 . . . . 5.2 111.513 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.91 171.2 31.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.926 -0.655 . . . . 6.5 112.397 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 128.94 30.85 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.91 2.407 . . . . 8.43 112.167 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.9 m -70.0 124.18 90.19 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.847 -0.615 . . . . 9.92 111.306 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.08 -18.98 11.01 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.675 2.25 . . . . 11.69 112.078 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 4.8 p-10 -74.36 138.2 74.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 12.71 110.645 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 94' ' ' ASP . 19.9 Cg_exo -66.24 -8.21 19.71 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.088 2.525 . . . . 13.87 112.444 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.78 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.794 -0.447 . . . . 16.37 109.794 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 33.5 t70 -63.66 -48.19 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 13.44 110.426 175.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.29 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 14.0 110.583 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.596 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 57.8 tp60 -59.18 -47.63 84.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 17.04 110.376 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.21 -37.53 83.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 17.18 110.812 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 97' ' ' ASP . 73.3 mtt180 -62.52 -39.82 94.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 16.96 110.817 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -25.12 62.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 18.98 110.78 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 99' ' ' GLN . 84.9 mt -78.75 -6.48 55.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 19.25 110.819 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -80.66 105.49 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 20.5 109.92 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.84 -14.85 38.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.049 -0.523 . . . . 22.61 110.118 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.722 -0.656 . . . . 22.66 110.038 178.661 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.125 -0.39 . . . . 5.43 112.125 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 56.4 mt -93.57 89.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.111 0.481 . . . . 4.76 109.848 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.86 155.73 82.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.68 -0.691 . . . . 3.49 110.92 -177.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.26 -55.92 3.62 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.078 2.519 . . . . 2.79 113.374 -175.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.9 -42.32 99.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.661 0.267 . . . . 4.74 111.476 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.7 p -69.61 -28.24 65.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.754 0.311 . . . . 2.63 110.626 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.55 -40.55 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 2.49 110.002 174.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.84 -43.67 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 2.67 109.934 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -68.09 -33.77 75.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 2.94 110.481 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 58.1 tp60 -61.94 -57.36 12.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 2.67 110.834 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.43 -31.03 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 1.59 110.623 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.429 ' HA ' HG12 ' A' ' 10' ' ' VAL . 12.7 tpt -73.41 -36.91 66.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.75 110.765 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.68 -35.17 74.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.471 . . . . 1.36 109.753 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 15.7 mm100 -66.25 -48.97 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.714 . . . . 2.62 111.165 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 84' ' ' ALA . 10.3 p -68.16 -34.73 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 110.374 -0.232 . . . . 1.39 110.374 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HA ' HG22 ' A' ' 14' ' ' VAL . 93.5 t80 -60.54 -43.62 96.99 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.006 0.431 . . . . 0.65 110.015 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -38.69 76.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.701 . . . . 0.55 110.798 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.2 tp-100 -72.65 -50.8 22.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 1.37 110.87 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 11' ' ' PHE . 31.1 m -65.08 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.633 -0.258 . . . . 1.08 110.83 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.27 -46.07 83.45 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.111 0.481 . . . . 1.09 109.991 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 20.5 t-80 -61.82 -39.87 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 2.01 110.083 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 63.4 mm-40 -65.91 -47.16 75.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.54 110.307 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.6 mt -59.87 -44.85 95.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.142 -0.481 . . . . 0.45 110.516 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.07 80.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 0.51 111.122 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 56.3 mt-30 -68.14 -40.84 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 2.35 110.78 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.1 t -64.08 -50.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.69 110.604 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.53 -42.62 96.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.67 110.507 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.51 -44.28 96.86 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.597 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.52 75.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.743 0.275 . . . . 1.19 111.743 -177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -78.83 -19.02 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 3.21 111.001 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.04 48.25 3.39 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.745 -0.74 . . . . 1.22 111.962 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.08 160.23 14.23 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.676 -0.57 . . . . 1.1 111.676 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.8 138.07 33.74 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.544 2.163 . . . . 1.64 112.436 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.1 109.58 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.882 -0.599 . . . . 2.51 109.48 177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 m -103.2 171.99 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.034 -0.53 . . . . 1.34 111.348 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.11 92.77 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 0.98 110.87 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.32 130.98 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 1.31 110.985 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -118.78 177.77 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 2.05 110.399 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.1 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.891 0.377 . . . . 0.7 111.092 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -103.78 32.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 2.28 110.909 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.8 m -88.79 138.67 31.21 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.088 -0.382 . . . . 1.17 110.156 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 66.6 mtm180 -90.85 135.66 33.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.072 0.463 . . . . 3.15 109.785 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 88.7 m-85 -58.64 -42.35 88.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.54 111.463 -175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 37.7 m -61.33 -33.31 73.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.899 0.38 . . . . 1.63 110.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.07 -27.43 57.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 2.2 110.485 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 90.2 mt -76.78 -7.69 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 1.44 111.057 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.33 21.33 15.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.56 111.861 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' SER . 42.9 mt -107.36 125.97 51.88 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.072 -0.344 . . . . 1.09 110.072 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.7 p -97.65 -172.93 2.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.858 -0.423 . . . . 1.66 109.858 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -35.46 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.061 0.458 . . . . 1.55 109.863 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.5 mp -64.31 -44.74 90.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.766 -0.652 . . . . 2.22 110.037 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB3' HD22 ' A' ' 43' ' ' LEU . 9.3 m-20 -62.49 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.226 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.85 -43.34 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.42 110.777 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.632 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 m -71.34 -47.18 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.147 -0.479 . . . . 0.6 110.637 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.3 tp -58.35 -50.38 73.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.44 111.702 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.36 -43.11 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.549 -0.296 . . . . 0.72 110.812 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.2 m -68.24 -29.49 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.175 0.512 . . . . 1.21 110.776 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -71.49 -45.76 61.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 1.44 110.145 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -31.64 72.73 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 1.22 110.036 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -61.66 -32.15 72.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 1.81 110.714 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.96 -18.99 60.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.824 0.345 . . . . 0.65 110.712 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.52 -59.81 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.58 111.17 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -89.07 -50.13 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 1.04 111.477 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.08 14.16 80.99 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.845 -0.616 . . . . 1.23 113.239 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 23.2 p -135.57 115.58 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.863 0.332 . . . . 1.83 111.29 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 175.94 121.69 0.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 O-C-N 123.887 0.742 . . . . 4.01 110.48 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.72 114.74 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.194 1.929 . . . . 3.94 110.312 171.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -81.28 3.21 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.878 0.37 . . . . 4.03 111.496 -170.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.14 67.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 4.87 110.59 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -73.09 -40.65 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 5.89 110.431 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.67 28.61 3.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 2.63 111.165 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.69 -26.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.192 0.52 . . . . 3.37 109.957 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -105.87 108.11 19.45 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.723 -0.672 . . . . 1.8 109.275 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.64 -19.43 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 1.51 111.209 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 p -66.61 -13.83 61.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 1.59 112.024 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.9 p -79.47 -25.83 41.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.078 0.466 . . . . 1.94 110.234 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.81 89.37 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.376 -0.601 . . . . 0.67 109.376 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.88 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.012 -0.54 . . . . 0.88 111.209 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -106.42 165.82 10.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.091 -0.504 . . . . 0.65 111.039 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 81.5 t -54.87 -39.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.053 0.454 . . . . 0.6 110.269 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 81' ' ' ARG . . . -54.95 -36.63 65.52 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.341 -0.845 . . . . 0.36 111.789 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -65.69 -45.32 83.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 2.04 111.261 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.37 -42.72 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.921 0.391 . . . . 0.53 110.664 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 -34.9 78.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.38 110.965 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 45.0 ttm180 -56.06 -42.45 76.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.82 -0.627 . . . . 4.06 111.265 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.55 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.59 111.059 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -77.55 -19.22 56.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.127 -0.488 . . . . 0.9 111.303 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -72.59 -25.31 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.72 110.836 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 29.8 mm-40 -79.99 -12.3 59.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.794 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mm-40 -85.25 161.02 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 3.59 110.252 178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.37 35.92 6.09 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.521 -0.847 . . . . 2.96 111.05 -175.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.9 m -120.84 143.69 37.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.55 -0.325 . . . . 3.59 110.414 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.26 109.61 2.84 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.562 2.175 . . . . 5.2 112.61 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.77 175.26 16.63 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.119 -0.793 . . . . 6.5 111.119 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 119.62 6.99 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.629 2.219 . . . . 8.43 112.003 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.3 m -60.01 124.32 76.53 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.446 -0.343 . . . . 9.92 110.81 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.66 -22.03 44.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.864 2.376 . . . . 11.69 112.169 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -116.64 108.64 44.64 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.089 -0.505 . . . . 12.71 109.921 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.71 -15.11 35.36 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.104 2.536 . . . . 13.87 112.414 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.55 -26.38 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.826 -0.624 . . . . 16.37 110.669 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.43 -58.97 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.44 110.645 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.85 -28.43 62.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 14.0 111.052 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -60.98 -47.52 86.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.993 -0.549 . . . . 17.04 110.324 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 tp -76.08 -28.66 57.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.947 -0.569 . . . . 17.18 110.348 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -57.62 -42.7 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.864 -0.607 . . . . 16.96 110.336 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.407 ' CB ' ' HE ' ' A' ' 104' ' ' ARG . 9.6 m-20 -91.46 6.16 46.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 18.98 111.167 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 103' ' ' LEU . 3.9 mm? 54.48 38.48 29.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.879 -0.601 . . . . 19.25 111.485 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.407 ' HE ' ' CB ' ' A' ' 102' ' ' ASP . 85.2 mtt180 -81.46 121.3 26.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 20.5 110.482 -177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -84.86 -2.36 57.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.043 -0.526 . . . . 22.61 110.797 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.249 1.062 0 O-C-N 123.867 0.73 . . . . 22.66 110.512 -177.561 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.894 -0.482 . . . . 5.43 111.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 55.9 mt -81.25 83.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.588 0.708 . . . . 4.76 109.922 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.477 ' HB3' ' HD2' ' A' ' -1' ' ' PRO . 45.0 m-20 -74.74 165.71 51.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 3.49 110.406 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' -2' ' ' ASP . 74.0 Cg_exo -43.94 -48.63 9.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.058 2.505 . . . . 2.79 113.487 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -67.03 -40.94 87.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 4.74 110.425 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 5.9 m -62.48 -45.99 90.51 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.1 -0.5 . . . . 2.63 110.432 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.69 -39.88 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.663 -0.699 . . . . 2.49 110.499 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.01 -44.24 87.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.817 -0.628 . . . . 2.67 110.209 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -68.21 -37.69 81.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 2.94 110.168 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 1' ' ' THR . 32.4 mm-40 -57.1 -50.59 72.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.846 0.355 . . . . 2.67 110.413 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.33 -43.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 1.59 110.879 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -42.31 78.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.75 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.07 -31.99 72.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.121 0.486 . . . . 1.36 110.071 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.15 -45.57 91.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.546 -0.752 . . . . 2.62 110.963 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.6 p -75.01 -42.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.641 -0.254 . . . . 1.39 110.625 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.25 -43.49 87.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.54 -0.3 . . . . 0.65 111.28 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.14 -42.67 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.55 111.168 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.1 tp60 -68.1 -40.72 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 1.37 110.183 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 10' ' ' VAL . 60.9 t -59.41 -51.81 68.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 1.08 110.48 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.22 -38.75 84.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.02 -0.536 . . . . 1.09 110.478 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -58.75 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 2.01 110.378 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.544 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.2 mm100 -69.9 -43.04 72.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 1.54 110.438 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 74.1 mt -58.8 -44.09 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.916 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.42 90.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.51 110.886 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.35 -41.18 96.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 2.35 110.153 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 17' ' ' GLN . 61.7 t -62.95 -48.19 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.69 110.624 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 95.0 mt -57.36 -45.64 84.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.964 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.92 78.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.109 -0.567 . . . . 0.94 112.748 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.85 -40.26 22.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.329 . . . . 1.19 110.767 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.76 -38.85 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 3.21 110.952 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 12.15 65.0 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.577 -0.738 . . . . 1.22 111.35 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.85 -179.28 52.9 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.28 -0.486 . . . . 1.1 112.515 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.04 141.3 63.45 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.942 2.428 . . . . 1.64 112.073 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.288 -0.634 . . . . 2.51 109.288 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.03 152.58 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.759 -0.655 . . . . 1.34 111.213 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.05 103.32 15.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.98 109.918 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -77.51 130.04 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 1.31 110.438 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.13 175.28 6.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.496 -0.557 . . . . 2.05 109.496 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.5 tp -79.99 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.459 -0.571 . . . . 0.7 109.459 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -98.53 -0.31 43.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 2.28 111.665 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.1 p -73.72 144.64 45.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 1.17 110.744 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -89.69 144.49 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 3.15 109.812 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.08 -38.64 88.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.772 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -66.94 -27.88 67.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 1.63 110.156 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.2 -37.67 66.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 2.2 109.698 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.06 -20.63 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.605 -0.725 . . . . 1.44 110.968 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 21.04 8.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.792 -0.718 . . . . 0.56 113.029 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' OD2' ' A' ' 47' ' ' ASP . 3.0 mm? -108.92 106.96 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 1.09 110.123 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -80.21 173.26 12.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.156 -0.475 . . . . 1.66 110.487 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -52.14 -47.17 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.506 0.558 . . . . 1.55 112.506 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.44 -43.49 98.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 2.22 111.042 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 43' ' ' LEU . 6.3 t70 -77.98 -30.51 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.747 -0.381 . . . . 1.11 110.097 -177.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.1 tt -62.89 -46.43 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.202 -0.666 . . . . 1.42 109.202 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.98 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.98 -0.555 . . . . 0.63 110.439 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.5 m -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.586 -0.734 . . . . 0.6 110.409 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.72 -48.65 80.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.3 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 59.5 mt -58.69 -46.05 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.72 110.68 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.3 t -61.8 -41.88 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.21 111.349 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.1 m-20 -71.26 -41.03 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.488 -0.324 . . . . 1.44 111.087 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.73 -35.85 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.357 0.599 . . . . 1.22 110.133 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.83 -42.31 84.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.336 -0.847 . . . . 1.81 110.245 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.44 -12.71 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.834 -0.621 . . . . 0.65 111.484 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.3 t -76.35 -43.49 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.803 0.335 . . . . 0.58 110.133 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -90.83 -34.28 15.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 1.04 111.685 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.29 33.5 28.58 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.39 -0.684 . . . . 1.23 111.39 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 p -93.58 -178.03 4.58 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.191 0.441 . . . . 1.83 112.191 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.59 135.92 81.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 4.01 110.768 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.26 125.39 10.76 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.764 2.309 . . . . 3.94 111.965 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -120.57 -1.8 10.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.539 -0.3 . . . . 4.03 111.187 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.62 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.086 0.402 . . . . 4.87 112.086 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -94.89 -40.57 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 5.89 110.25 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.76 85.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.584 -0.735 . . . . 2.63 111.667 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.9 t -90.04 -8.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.026 0.441 . . . . 3.37 110.32 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 66.99 131.76 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.298 -0.865 . . . . 1.8 111.942 -176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -62.56 -26.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -0.999 . . . . 1.51 112.008 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -73.72 -9.27 58.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.145 0.424 . . . . 1.59 112.145 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -84.98 -8.84 58.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.39 . . . . 1.94 110.911 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mm -97.65 99.19 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.67 110.21 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.93 -52.22 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.303 0.573 . . . . 0.88 110.465 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -100.47 153.29 19.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.691 -0.686 . . . . 0.65 110.953 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.26 -33.31 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.6 110.778 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -56.33 -37.3 69.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.814 -0.63 . . . . 0.36 111.737 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 8.6 t70 -72.34 -45.39 60.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 2.04 110.367 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.51 -47.46 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.53 110.699 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.43 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.959 -0.564 . . . . 0.38 110.236 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 31.7 ttp85 -57.51 -51.11 70.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.56 . . . . 4.06 110.94 175.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.65 78.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.614 -0.721 . . . . 0.59 111.447 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -79.19 -29.26 42.82 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.663 0.246 . . . . 0.9 111.663 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.79 75.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.72 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 20.1 pt20 -83.4 -14.79 51.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 2.83 111.105 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -67.32 120.32 13.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 3.59 110.228 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.82 -29.58 7.7 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.009 -0.615 . . . . 2.96 111.765 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 p -118.44 131.16 24.37 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.058 0.456 . . . . 3.59 110.576 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.14 108.88 0.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.664 2.243 . . . . 5.2 111.631 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 140.71 24.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.764 -0.731 . . . . 6.5 112.117 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.38 139.11 69.42 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.532 2.155 . . . . 8.43 111.952 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.9 m -89.04 119.75 69.84 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.363 -0.38 . . . . 9.92 111.023 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -82.01 8.45 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.744 2.296 . . . . 11.69 111.431 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.59 134.15 22.41 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.412 -0.813 . . . . 12.71 110.034 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.55 -7.45 20.38 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.951 2.434 . . . . 13.87 113.908 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 42.7 tp -59.25 -48.34 81.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 16.37 110.799 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.09 -35.23 80.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.399 -0.364 . . . . 13.44 110.954 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.02 94.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 14.0 110.249 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -72.81 -23.95 60.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 17.04 110.784 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 83.5 mt -77.09 39.23 0.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.169 0.509 . . . . 17.18 111.428 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -93.12 -21.45 19.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.64 . . . . 16.96 109.537 175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.76 -36.41 11.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 18.98 110.348 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.2 mt 52.61 57.92 5.9 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.292 0.568 . . . . 19.25 111.01 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -90.8 -13.22 34.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.443 -0.799 . . . . 20.5 110.546 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -88.95 5.36 44.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 22.61 110.77 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.65 -0.69 . . . . 22.66 110.027 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.639 -0.585 . . . . 5.43 111.639 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -79.52 73.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.437 0.637 . . . . 4.76 109.651 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -83.96 144.66 45.04 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.715 . . . . 3.49 110.377 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.86 -24.0 78.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.792 2.328 . . . . 2.79 111.862 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.07 -48.28 53.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.855 -0.611 . . . . 4.74 110.839 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 p -70.35 -32.44 70.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.371 -0.377 . . . . 2.63 110.976 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.35 -41.23 85.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.417 . . . . 2.49 110.29 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.01 -40.68 87.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.581 . . . . 2.67 110.182 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -64.58 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.448 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.84 -51.45 64.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.707 -0.224 . . . . 2.67 111.298 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.09 -34.63 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.279 . . . . 1.59 110.689 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -74.78 -30.09 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.149 0.499 . . . . 0.75 110.297 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.2 -44.56 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.085 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -60.39 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 2.62 111.026 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.87 -36.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.577 -0.283 . . . . 1.39 110.773 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.0 t80 -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.633 -0.258 . . . . 0.65 110.82 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.08 -34.73 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.502 . . . . 0.55 110.486 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.17 -54.42 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.807 -0.633 . . . . 1.37 110.504 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 11' ' ' PHE . 22.9 m -60.53 -32.77 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 1.08 110.702 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.56 -43.32 89.34 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.226 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 22.6 t60 -59.97 -50.27 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 2.01 110.142 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 mp0 -57.96 -46.53 84.98 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.17 0.294 . . . . 1.54 111.015 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.64 -45.84 93.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.833 0.349 . . . . 0.45 110.821 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.26 -33.45 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.51 111.011 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 30.8 mm-40 -67.51 -45.04 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 2.35 110.418 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.4 t -60.4 -53.01 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.69 111.116 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.76 -39.98 95.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.961 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.34 74.07 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.967 -0.635 . . . . 0.94 112.474 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.44 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 1.19 110.919 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -78.76 -24.29 44.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 3.21 110.489 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.89 21.4 33.62 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.665 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.41 173.98 23.49 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.795 -0.717 . . . . 1.1 112.143 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.12 154.37 41.91 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.665 2.244 . . . . 1.64 112.086 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.33 109.76 20.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.233 -0.44 . . . . 2.51 110.053 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.06 148.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 102.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.98 111.292 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.23 111.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 1.31 110.149 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.98 148.06 50.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 2.05 109.86 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -67.22 -25.31 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 0.7 111.577 -173.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -91.36 -10.22 41.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.269 0.557 . . . . 2.28 110.422 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -69.07 140.85 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.51 . . . . 1.17 110.544 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 74' ' ' VAL . 10.2 mpt_? -83.37 145.92 28.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.658 -0.701 . . . . 3.15 109.669 177.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -56.71 -52.27 65.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.976 0.362 . . . . 0.54 111.976 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 p -61.37 -40.53 94.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.856 0.36 . . . . 1.63 111.173 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.26 -31.04 71.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 2.2 110.466 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.65 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.44 111.191 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.12 -4.73 23.78 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.459 -0.876 . . . . 0.56 112.952 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -98.2 107.14 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.09 110.615 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 t -78.68 -176.22 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.485 -0.561 . . . . 1.66 109.485 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 m -57.85 -43.78 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.85 0.357 . . . . 1.55 110.974 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.81 -37.46 86.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.151 0.5 . . . . 2.22 110.748 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.83 -39.14 69.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 1.11 110.26 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 52' ' ' ILE . 3.7 tt -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.679 -0.692 . . . . 1.42 109.535 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.66 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.63 110.919 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -66.23 -35.72 81.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.107 0.48 . . . . 0.6 110.623 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.48 -38.66 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.44 110.175 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.9 mm -55.97 -52.76 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.72 110.583 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 m -60.71 -34.8 74.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.216 -0.447 . . . . 1.21 111.454 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -72.92 -44.86 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.44 111.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.76 -31.34 68.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 1.22 110.351 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.14 -35.9 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.511 -0.768 . . . . 1.81 110.517 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.0 -17.97 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.65 111.559 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.5 t -83.48 -45.94 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.043 0.449 . . . . 0.58 110.87 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -89.18 -36.45 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.271 -0.422 . . . . 1.04 111.556 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.02 -30.45 8.53 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.069 -0.813 . . . . 1.23 111.069 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -97.38 156.16 16.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.274 . . . . 1.83 110.336 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -136.43 116.58 11.05 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.031 0.443 . . . . 4.01 110.077 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -89.04 114.29 0.66 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.351 2.034 . . . . 3.94 111.63 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -119.0 -12.19 9.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.992 0.425 . . . . 4.03 110.696 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.56 -42.72 41.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.022 0.439 . . . . 4.87 109.921 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.61 -39.21 53.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 5.89 110.475 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.62 28.09 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 2.63 111.286 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.05 -27.86 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.274 0.559 . . . . 3.37 110.239 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.34 74.33 10.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.943 -0.571 . . . . 1.8 109.926 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.17 -27.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.636 -0.711 . . . . 1.51 110.624 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -71.34 -25.27 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.628 -0.714 . . . . 1.59 111.362 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -90.74 -2.88 57.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 1.94 110.913 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mm -79.73 89.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.706 -0.85 . . . . 0.67 108.706 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 37' ' ' ARG . 48.1 t -103.09 -57.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.502 -0.772 . . . . 0.88 111.012 -173.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 76.6 p -102.02 162.38 12.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.63 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.78 -37.85 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.6 110.127 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.12 66.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.46 -0.791 . . . . 0.36 112.105 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -63.97 -43.85 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 2.04 110.981 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.2 tp -80.18 -44.2 20.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.495 . . . . 0.53 110.718 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.02 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.38 111.162 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -60.11 -36.51 77.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 4.06 111.037 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 86' ' ' GLN . . . -67.09 -43.19 83.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.59 110.624 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -78.42 -20.19 51.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.9 111.263 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.73 -22.11 64.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.239 0.543 . . . . 0.72 110.029 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -97.1 -4.16 39.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.65 -0.704 . . . . 2.83 110.85 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 15.9 mm100 -84.18 124.23 30.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.396 -0.365 . . . . 3.59 110.235 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.88 53.79 21.49 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.629 -0.796 . . . . 2.96 111.85 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.87 127.08 88.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.029 0.443 . . . . 3.59 110.759 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.04 108.97 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.014 2.476 . . . . 5.2 112.195 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.33 70.09 0.28 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.673 -0.775 . . . . 6.5 112.227 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.34 126.91 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.527 2.151 . . . . 8.43 111.27 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -79.07 129.12 73.97 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.252 -0.431 . . . . 9.92 110.903 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.39 -7.71 21.84 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.799 2.333 . . . . 11.69 111.336 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.63 145.81 98.32 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.267 -0.879 . . . . 12.71 109.858 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.59 -14.25 38.58 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.174 2.583 . . . . 13.87 114.025 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.4 tp -69.35 -51.37 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.77 0.319 . . . . 16.37 110.779 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.99 -19.52 57.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.352 . . . . 13.44 110.622 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.99 -28.28 60.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 14.0 110.413 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -82.39 -38.61 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.18 0.514 . . . . 17.04 110.022 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.6 mt -92.06 62.93 4.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.816 -0.629 . . . . 17.18 110.953 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -96.0 -60.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 16.96 109.723 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -91.5 -31.38 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 18.98 109.285 171.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.32 64.85 2.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 19.25 110.838 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' HG3' ' H ' ' A' ' 106' ' ' LEU . 14.3 ptt180 -160.13 160.75 33.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.154 -0.684 . . . . 20.5 109.154 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -90.4 32.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.221 0.534 . . . . 22.61 110.687 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' H ' ' HG3' ' A' ' 104' ' ' ARG . 87.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-N 115.467 -0.788 . . . . 22.66 109.44 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 112.12 -0.392 . . . . 5.43 112.12 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 39.6 mt 56.61 70.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.537 0.684 . . . . 4.76 110.698 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.51 132.37 37.31 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.64 -0.709 . . . . 3.49 110.217 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.58 -11.96 26.6 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.606 2.204 . . . . 2.79 111.774 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.02 -61.33 2.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.755 -0.657 . . . . 4.74 110.538 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.1 p -67.38 -34.32 77.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 2.63 110.986 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.05 -41.03 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 2.49 111.088 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -71.39 -42.76 67.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.081 0.467 . . . . 2.67 109.987 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -66.55 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 2.94 110.582 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.44 -49.75 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 2.67 110.434 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.21 -40.51 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 1.59 110.507 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.5 tpp -62.75 -46.07 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.75 111.036 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.17 -36.02 82.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.169 0.509 . . . . 1.36 110.165 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -66.11 -52.39 49.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.4 -0.818 . . . . 2.62 111.065 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 p -65.0 -38.12 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.29 . . . . 1.39 110.459 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.24 -40.71 86.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.184 -0.462 . . . . 0.65 110.897 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.55 110.559 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 5.8 tp-100 -68.09 -43.09 79.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 1.37 110.457 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 10' ' ' VAL . 98.5 t -58.26 -46.83 88.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.435 -0.348 . . . . 1.08 110.764 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -57.48 -45.31 85.0 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.96 0.41 . . . . 1.09 109.994 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.48 -37.42 83.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.704 . . . . 2.01 110.679 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 31.2 mm-40 -70.43 -39.85 74.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.583 -0.28 . . . . 1.54 110.536 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 72.4 mt -65.71 -45.15 92.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.45 110.302 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.46 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.51 110.639 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.45 -49.79 74.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.35 110.295 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 17' ' ' GLN . 92.0 t -59.41 -47.68 89.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.253 -0.43 . . . . 0.69 110.94 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.5 -42.8 98.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.667 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -35.85 86.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.95 -0.643 . . . . 0.94 112.208 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.2 65.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.651 0.262 . . . . 1.19 111.417 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -91.85 -15.23 28.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.0 0.429 . . . . 3.21 110.661 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.83 30.27 18.42 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.861 -0.608 . . . . 1.22 112.586 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.17 157.63 14.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.774 -0.727 . . . . 1.1 112.12 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.34 143.12 75.54 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 1.64 111.865 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.73 138.73 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.132 0.491 . . . . 2.51 110.715 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.94 167.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 1.34 110.577 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.85 98.87 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.13 -0.487 . . . . 0.98 110.364 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.98 118.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.113 -0.494 . . . . 1.31 110.216 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.77 172.75 6.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.559 -0.534 . . . . 2.05 109.559 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 tp -83.08 -31.21 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.7 110.331 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.0 6.25 43.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.341 -0.39 . . . . 2.28 111.683 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -84.35 148.85 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.754 0.312 . . . . 1.17 110.844 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 69.8 mtt180 -85.27 141.79 29.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.206 -0.665 . . . . 3.15 109.206 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 70.1 m-85 -61.61 -30.18 70.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.913 -0.403 . . . . 0.54 109.913 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -61.28 -51.53 68.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.712 . . . . 1.63 111.33 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.81 -20.23 53.59 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.887 -0.325 . . . . 2.2 110.974 -175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 91.2 mt -71.46 -20.35 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 1.44 110.152 173.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 4.09 28.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.92 -0.657 . . . . 0.56 113.299 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.2 mm? -83.49 112.59 20.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.89 0.345 . . . . 1.09 110.124 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -83.81 -173.1 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.367 -0.379 . . . . 1.66 110.602 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.3 m -55.65 -50.66 69.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.767 0.318 . . . . 1.55 111.785 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.7 tp -66.56 -43.28 85.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 2.22 110.55 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 43' ' ' LEU . 11.4 m-20 -60.95 -44.42 97.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 1.11 110.752 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' O ' HG12 ' A' ' 52' ' ' ILE . 8.2 tt -61.71 -45.13 95.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 1.42 109.819 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.94 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.63 110.735 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -59.91 -42.32 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.6 109.923 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.5 -44.32 97.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.566 -0.743 . . . . 0.44 110.7 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 48' ' ' LEU . 44.9 mm -57.31 -46.19 85.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.067 0.46 . . . . 0.72 110.221 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -63.11 -37.73 88.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.343 -0.844 . . . . 1.21 110.834 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 97.3 m-20 -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.539 -0.3 . . . . 1.44 110.896 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.0 mm? -65.46 -29.5 70.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.74 0.305 . . . . 1.22 110.818 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.15 -38.85 86.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 1.81 110.048 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.59 71.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.431 . . . . 0.65 110.675 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 13' ' ' GLN . 88.1 t -76.43 -64.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.58 111.414 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -103.42 -50.8 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 1.04 111.617 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.48 1.45 86.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.866 -0.683 . . . . 1.23 112.37 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 p -80.74 -176.56 5.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 122.016 0.126 . . . . 1.83 110.798 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.1 t70 70.79 103.27 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.851 0.719 . . . . 4.01 110.712 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.32 116.08 2.93 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.771 2.314 . . . . 3.94 112.011 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -75.72 -13.85 60.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 4.03 110.815 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.73 86.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.253 0.549 . . . . 4.87 109.539 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.59 -32.45 36.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.646 -0.706 . . . . 5.89 110.274 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.28 28.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 2.63 111.11 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.7 -25.13 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 3.37 111.191 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.84 72.67 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 1.8 110.26 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.01 -19.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 1.51 111.553 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -5.77 27.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.162 0.431 . . . . 1.59 112.162 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 p -77.23 -18.97 57.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.325 0.583 . . . . 1.94 109.929 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.38 89.59 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.842 -0.617 . . . . 0.67 109.972 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.78 -53.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.325 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 40.7 p -105.08 167.62 9.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.65 110.885 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 86.3 t -59.58 -39.82 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.753 0.311 . . . . 0.6 110.547 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.615 . . . . 0.36 111.774 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.13 -43.46 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 2.04 110.762 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 tp -73.21 -39.94 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.53 110.293 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.54 93.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.38 111.049 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 48.1 mtm105 -56.16 -39.07 71.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.569 -0.287 . . . . 4.06 111.406 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.11 -60.02 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.59 111.233 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.3 -9.36 59.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.384 . . . . 0.9 111.824 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -77.69 -51.19 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.828 -0.434 . . . . 0.72 109.828 172.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 88' ' ' VAL . 16.9 tt0 -71.62 -41.21 69.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 2.83 110.771 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.61 109.51 19.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.255 -0.429 . . . . 3.59 110.02 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.57 -15.92 5.69 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.894 -0.67 . . . . 2.96 111.754 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 85' ' ' GLN . 34.4 m -99.68 147.06 32.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.914 -0.402 . . . . 3.59 109.914 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.99 109.91 1.39 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.525 2.15 . . . . 5.2 111.806 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.75 -73.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.132 -0.556 . . . . 6.5 112.056 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.02 119.19 6.16 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.467 2.111 . . . . 8.43 111.761 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -83.6 125.35 73.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.106 -0.497 . . . . 9.92 110.029 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.96 -10.27 27.27 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.651 2.234 . . . . 11.69 111.93 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -126.34 75.34 73.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 12.71 109.812 176.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.38 -37.61 80.5 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.883 2.389 . . . . 13.87 112.834 -175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.74 -46.7 74.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.572 . . . . 16.37 110.255 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.44 -38.91 92.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 13.44 110.443 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.63 -35.54 79.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 14.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.62 -60.2 3.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 17.04 110.929 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.81 -16.92 64.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 17.18 111.8 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.77 -56.45 6.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.283 -0.417 . . . . 16.96 110.728 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.01 -24.29 23.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.871 -0.604 . . . . 18.98 111.538 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 tp -98.97 72.87 1.93 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.439 0.638 . . . . 19.25 109.536 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -90.98 129.05 37.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 20.5 110.272 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -83.3 122.15 28.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 22.61 110.006 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.47 -0.776 . . . . 22.66 110.398 -177.646 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.599 -0.6 . . . . 5.43 111.599 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 39.8 pt -109.45 152.41 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.641 0.258 . . . . 4.76 110.473 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' -1' ' ' PRO . 4.1 p-10 -109.72 153.89 42.75 Favored Pre-proline 0 N--CA 1.447 -0.581 0 N-CA-C 109.921 -0.4 . . . . 3.49 109.921 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' -2' ' ' ASP . 4.2 Cg_exo -74.77 -5.15 16.46 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.179 2.586 . . . . 2.79 113.571 -172.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -89.46 -51.36 5.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.788 -0.449 . . . . 4.74 109.788 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.2 p -66.57 -30.74 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.048 0.451 . . . . 2.63 110.058 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 6' ' ' VAL . 61.4 tp -61.6 -40.86 96.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.735 -0.666 . . . . 2.49 110.484 176.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -70.22 -32.86 70.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.251 0.548 . . . . 2.67 109.576 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -65.43 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.675 -0.693 . . . . 2.94 109.69 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 47.2 tt0 -66.6 -45.28 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 2.67 110.541 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 2' ' ' LEU . 60.6 t -58.09 -48.05 85.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.232 0.539 . . . . 1.59 110.34 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.59 -31.49 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.75 110.365 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.87 -39.29 93.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.36 110.335 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 90.8 mm-40 -63.24 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 2.62 111.248 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.6 -33.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.86 -0.336 . . . . 1.39 110.576 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 14' ' ' VAL . 64.4 t80 -65.19 -39.54 93.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.98 0.419 . . . . 0.65 110.254 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.9 -38.02 89.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.55 110.495 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.47 -44.02 58.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 1.37 111.153 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 11' ' ' PHE . 26.9 m -64.78 -38.93 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.499 -0.48 . . . . 1.08 110.106 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.41 -48.04 83.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.177 0.513 . . . . 1.09 109.922 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.3 t-80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.132 -0.94 . . . . 2.01 111.016 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.31 -40.61 90.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 1.54 111.028 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.58 -47.43 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.74 0.305 . . . . 0.45 110.319 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.74 76.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.002 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.0 mm-40 -63.2 -47.84 80.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 2.35 110.601 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.54 -46.34 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.69 110.898 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.41 -38.14 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.39 -0.368 . . . . 1.67 111.043 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.44 -44.56 95.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.004 -0.617 . . . . 0.94 112.106 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.77 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 1.19 110.853 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.1 -29.64 49.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 3.21 110.328 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.55 11.55 68.49 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.427 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.97 162.66 32.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.012 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.98 123.51 13.37 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.891 2.394 . . . . 1.64 112.751 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.58 110.2 6.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.966 -0.561 . . . . 2.51 109.854 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.85 154.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 1.34 110.807 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 122.21 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.98 110.285 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.17 132.26 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 1.31 111.119 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -109.74 139.06 45.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.484 -0.78 . . . . 2.05 109.877 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 tp -74.99 -25.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.768 -0.651 . . . . 0.7 111.035 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.82 -32.04 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 2.28 111.178 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -65.41 160.74 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.579 0.705 . . . . 1.17 111.58 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 54.1 mtm180 -88.52 161.23 17.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.251 -0.886 . . . . 3.15 109.246 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 74.9 m-85 -60.19 -35.76 76.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.968 0.413 . . . . 0.54 110.715 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -62.28 -25.27 67.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.63 111.532 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -73.53 -29.64 62.58 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.561 0.219 . . . . 2.2 111.157 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.62 -10.64 53.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 1.44 110.499 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.45 3.94 23.76 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.623 -0.799 . . . . 0.56 113.224 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.41 124.1 29.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.898 0.349 . . . . 1.09 110.336 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -85.84 177.45 7.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.797 -0.446 . . . . 1.66 109.797 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -57.76 -39.69 78.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 1.55 110.683 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.63 -44.15 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.756 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.29 -42.72 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.904 -0.406 . . . . 1.11 109.904 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -57.65 -47.48 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.366 -0.834 . . . . 1.42 110.467 -178.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.39 -51.08 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.63 111.21 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -68.11 -33.47 74.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.6 110.765 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.0 -44.71 91.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.44 110.318 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.7 mt -63.03 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.72 110.499 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.8 m -58.3 -35.62 72.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.21 111.061 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.47 -45.17 76.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 1.44 110.77 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.15 -35.97 78.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.05 -0.523 . . . . 1.22 110.483 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.33 -42.49 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 1.81 110.537 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.4 -22.97 65.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.41 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.09 -62.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.58 110.942 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -86.2 -34.31 20.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 1.04 111.67 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.44 -7.68 45.63 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.965 -0.561 . . . . 1.23 112.888 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 40.9 p -116.25 112.49 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.96 0.356 . . . . 1.83 111.96 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 61' ' ' THR . 25.8 t0 163.69 91.54 0.01 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 O-C-N 124.653 1.221 . . . . 4.01 108.778 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.1 115.77 3.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.262 1.975 . . . . 3.94 112.402 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.2 6.91 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 4.03 111.066 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.09 72.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.432 -0.581 . . . . 4.87 109.432 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -93.98 -29.5 15.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 5.89 110.556 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.51 29.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.997 0.427 . . . . 2.63 111.225 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.46 -17.53 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.017 -0.538 . . . . 3.37 111.004 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.12 116.69 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.8 111.381 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -95.23 -14.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.162 0.506 . . . . 1.51 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -64.15 -29.22 70.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.59 111.53 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.3 m -71.9 -30.5 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 1.94 111.108 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -85.07 89.53 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.168 0.509 . . . . 0.67 110.643 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 -50.47 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.274 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 14.9 p -89.07 152.31 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.65 110.972 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 80.9 t -61.24 -35.97 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.6 110.163 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.401 -0.818 . . . . 0.36 112.127 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.7 -50.6 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 2.04 110.907 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.85 -39.37 87.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.143 -0.48 . . . . 0.53 110.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.52 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.38 110.787 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -67.37 -29.77 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 4.06 111.032 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.98 81.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.041 0.448 . . . . 0.59 111.217 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -82.09 -20.68 37.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 0.9 111.404 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.37 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.483 . . . . 0.72 110.244 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.43 -41.14 76.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.633 . . . . 2.83 110.164 177.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 61' ' ' THR . 57.8 tp60 -65.53 137.4 57.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 3.59 110.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.73 -11.62 20.93 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.944 -0.646 . . . . 2.96 111.516 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.79 133.65 82.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.828 0.347 . . . . 3.59 110.181 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.84 109.82 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.866 2.377 . . . . 5.2 112.055 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 179.29 124.11 0.86 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.081 -0.58 . . . . 6.5 111.791 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.29 136.86 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.572 2.181 . . . . 8.43 111.971 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -76.17 153.56 84.39 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 9.92 109.967 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.31 -15.3 43.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.053 2.502 . . . . 11.69 112.593 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -76.08 130.94 76.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 12.71 110.113 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.16 -22.22 72.8 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.64 2.227 . . . . 13.87 111.812 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.19 -34.48 78.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.563 -0.744 . . . . 16.37 110.116 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 -40.0 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.62 -0.718 . . . . 13.44 110.341 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.95 70.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 14.0 112.443 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.26 -6.32 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.61 0.226 . . . . 17.04 111.61 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.2 mt 49.02 67.89 0.8 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.636 0.606 . . . . 17.18 112.636 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.61 -21.09 19.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.19 -0.671 . . . . 16.96 109.19 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.34 -60.51 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 18.98 109.721 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.67 120.25 25.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.453 -0.794 . . . . 19.25 110.399 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.601 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.2 tpm_? -79.85 -29.67 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.154 0.502 . . . . 20.5 109.782 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -132.13 158.64 41.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.748 -0.66 . . . . 22.61 109.689 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.619 -0.705 . . . . 22.66 109.829 179.651 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.989 -0.445 . . . . 5.43 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -69.69 131.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.194 0.521 . . . . 4.76 111.069 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -77.53 132.7 68.46 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.96 -0.564 . . . . 3.49 110.034 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.78 -24.19 74.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.575 2.183 . . . . 2.79 111.388 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -75.21 -49.13 20.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 4.74 110.697 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.522 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 36.8 p -65.09 -43.16 93.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.985 0.422 . . . . 2.63 110.028 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.51 -36.73 76.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.625 -0.716 . . . . 2.49 110.711 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.31 -36.65 83.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 2.67 110.417 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -71.4 -40.93 70.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 2.94 110.325 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 1' ' ' THR . 96.8 mt-30 -59.78 -48.03 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 2.67 111.349 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 10' ' ' VAL . 14.6 p -68.55 -37.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.712 -0.222 . . . . 1.59 111.174 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 tpt -66.45 -37.76 85.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.75 109.809 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.58 -38.96 89.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 1.36 110.361 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 69.9 mt-30 -63.47 -41.46 98.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 2.62 110.898 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 6' ' ' VAL . 48.8 t -65.56 -41.87 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 1.39 110.212 177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.66 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.476 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.04 -42.12 76.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.55 110.8 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.5 tp-100 -61.36 -56.66 17.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.791 -0.641 . . . . 1.37 110.762 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.6 m -64.39 -35.84 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 1.08 111.264 -177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.86 -49.96 69.85 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.15 0.5 . . . . 1.09 110.643 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 69.4 t60 -62.77 -40.72 98.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.411 -0.813 . . . . 2.01 110.674 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -66.12 -41.3 90.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.321 . . . . 1.54 110.431 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 92.3 mt -60.81 -44.2 97.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.861 0.362 . . . . 0.45 110.433 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.64 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.176 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -70.29 -38.57 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 2.35 110.574 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.3 t -67.83 -48.1 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.69 110.53 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.83 -42.99 85.48 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.418 -0.355 . . . . 1.67 110.637 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.48 92.4 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.94 112.209 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.74 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.19 111.237 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -71.81 -32.03 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 3.21 110.972 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 15.49 71.02 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.346 -0.702 . . . . 1.22 111.346 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.58 179.29 49.06 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.13 -0.557 . . . . 1.1 112.578 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.14 119.82 7.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.998 2.466 . . . . 1.64 112.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.81 109.1 8.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 2.51 109.935 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.29 148.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.937 -0.574 . . . . 1.34 110.472 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 129.72 34.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.98 110.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.51 138.23 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 1.31 111.35 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.67 178.76 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.266 -0.642 . . . . 2.05 109.266 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -74.39 -33.93 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.394 -0.523 . . . . 0.7 111.148 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.38 -0.96 57.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.227 0.537 . . . . 2.28 111.028 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -62.67 135.05 57.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.486 . . . . 1.17 111.456 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -92.28 133.89 35.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.875 -0.787 . . . . 3.15 108.875 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -62.11 -28.01 69.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.54 112.557 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -63.84 -44.98 91.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.775 0.321 . . . . 1.63 110.431 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.76 -31.17 64.71 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.206 0.527 . . . . 2.2 110.158 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 tp -70.26 -19.08 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.533 -0.758 . . . . 1.44 110.801 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.84 18.48 27.29 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.79 -0.719 . . . . 0.56 112.686 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.26 110.23 22.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.022 -0.362 . . . . 1.09 110.022 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -76.07 174.48 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.201 -0.454 . . . . 1.66 109.935 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -59.96 -36.87 78.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 1.55 110.33 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.3 mp -67.91 -38.07 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.22 110.148 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.41 -37.58 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 1.11 109.988 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 52' ' ' ILE . 50.6 mt -60.8 -44.38 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 1.42 110.706 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.21 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.63 110.591 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.9 m -66.49 -44.05 83.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.6 111.081 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.82 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.424 . . . . 0.44 111.014 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 48' ' ' LEU . 70.3 mt -65.3 -33.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.721 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -63.2 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 1.21 110.318 175.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.39 -21.37 62.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 1.44 110.923 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.18 -28.14 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.409 0.623 . . . . 1.22 109.797 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.89 -43.63 86.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.191 -0.913 . . . . 1.81 110.327 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.47 -8.76 43.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.65 111.948 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -87.82 -49.14 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.58 110.738 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -95.14 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.064 0.394 . . . . 1.04 112.064 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.48 5.57 78.8 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.357 -0.697 . . . . 1.23 111.357 -173.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.4 p -81.41 136.11 35.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.448 . . . . 1.83 111.329 -177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.91 117.01 52.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 4.01 111.186 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 51.8 Cg_exo -55.48 116.9 3.48 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.002 2.468 . . . . 3.94 112.266 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -79.44 -4.33 50.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.979 -0.555 . . . . 4.03 110.846 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.43 98.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 4.87 111.024 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.54 -18.72 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 5.89 110.811 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.7 -59.7 2.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 2.63 111.249 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -99.9 -70.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.39 -0.368 . . . . 3.37 111.253 -175.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.34 147.4 20.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.891 0.377 . . . . 1.8 111.073 -177.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.5 tp -93.63 -21.84 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.925 -0.579 . . . . 1.51 110.153 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -77.67 0.19 24.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 1.59 111.255 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -76.4 -14.66 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 1.94 110.039 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.72 89.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.82 -0.627 . . . . 0.67 109.574 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.96 -58.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.88 110.449 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -102.17 162.48 12.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.65 110.572 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.01 -35.56 66.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.18 0.514 . . . . 0.6 109.868 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.34 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.451 -0.795 . . . . 0.36 111.426 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.6 -48.24 70.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.898 0.38 . . . . 2.04 110.55 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.68 -45.95 91.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.612 -0.722 . . . . 0.53 110.205 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.17 -53.91 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.579 -0.737 . . . . 0.38 111.236 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -59.35 -42.19 90.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.315 . . . . 4.06 111.546 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.78 94.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.59 111.728 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 63' ' ' PRO . 83.0 m-85 -90.73 -9.98 44.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.839 0.311 . . . . 0.9 111.839 -177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.47 28.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.265 0.555 . . . . 0.72 109.931 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -77.82 -17.77 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 2.83 110.048 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -82.37 158.83 23.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.22 -0.659 . . . . 3.59 109.22 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.72 -18.98 56.4 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 110.9 -0.88 . . . . 2.96 110.9 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.48 151.54 78.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.926 -0.768 . . . . 3.59 108.926 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 109.23 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.718 2.279 . . . . 5.2 112.145 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.68 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.908 -0.587 . . . . 6.5 111.78 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.52 120.21 7.83 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.602 2.202 . . . . 8.43 111.598 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 36.6 p -68.47 120.01 72.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.149 -0.478 . . . . 9.92 110.997 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 24.5 Cg_exo -62.17 -31.21 82.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.762 2.308 . . . . 11.69 111.755 177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -143.76 109.87 5.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.737 . . . . 12.71 110.079 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -85.14 -5.42 9.51 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.514 2.143 . . . . 13.87 113.259 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.99 -51.06 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 16.37 110.284 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -14.11 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 13.44 110.175 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.34 77.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.343 0.592 . . . . 14.0 109.704 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.682 -0.69 . . . . 17.04 109.997 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.28 14.73 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 17.18 111.083 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -60.14 -34.24 73.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 16.96 109.793 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.23 16.41 26.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.056 -0.974 . . . . 18.98 110.733 -176.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.28 124.89 21.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.206 0.527 . . . . 19.25 110.462 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -107.3 159.66 16.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.684 -0.689 . . . . 20.5 110.362 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.61 47.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.522 0.677 . . . . 22.61 110.076 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.292 -0.867 . . . . 22.66 109.78 -178.106 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.961 0.41 . . . . 2.67 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -77.65 -38.22 48.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 2.94 110.062 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.86 -47.35 86.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 2.67 111.269 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.49 -34.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.558 -0.292 . . . . 1.59 110.808 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.34 -42.73 83.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.412 0.625 . . . . 0.75 109.729 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.65 -34.7 78.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.645 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.54 -50.71 71.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 2.62 110.963 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.0 m -69.98 -31.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.659 -0.246 . . . . 1.39 110.783 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.59 -49.88 76.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.441 -0.345 . . . . 0.65 110.775 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -39.94 77.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.117 -0.492 . . . . 0.55 110.935 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 49.7 tp60 -64.09 -50.34 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.982 -0.554 . . . . 1.37 110.204 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' VAL . 95.1 t -59.53 -44.31 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.109 -0.496 . . . . 1.08 111.035 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.69 -45.68 73.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.874 0.369 . . . . 1.09 110.865 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -65.4 -35.59 81.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 2.01 110.76 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 83.8 mm-40 -72.97 -36.57 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.387 -0.37 . . . . 1.54 110.546 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.93 -45.68 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.45 110.315 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.19 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.51 110.632 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.41 -48.58 79.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 2.35 110.856 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.6 t -59.83 -57.61 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.69 111.154 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.11 -37.89 86.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 1.67 110.743 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -39.9 97.74 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.124 -0.56 . . . . 0.94 112.467 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.65 75.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 1.19 111.085 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 48.9 mtpt -74.55 -19.8 60.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 3.21 111.102 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.94 18.87 32.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 1.22 112.656 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.83 149.61 18.54 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.778 -0.725 . . . . 1.1 112.064 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.85 137.41 78.64 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.106 2.537 . . . . 1.64 112.224 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.89 115.92 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 2.51 111.144 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.15 149.29 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.698 -0.683 . . . . 1.34 109.908 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.54 122.46 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.882 0.372 . . . . 0.98 110.63 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.25 104.09 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 1.31 111.155 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 44.2 mm-40 -95.31 143.61 26.55 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 2.05 109.291 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.73 -28.4 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.574 . . . . 0.7 111.974 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -98.34 8.96 44.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.815 0.34 . . . . 2.28 110.765 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 42.5 t -84.77 150.17 25.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 1.17 110.955 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -84.6 141.25 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 3.15 109.376 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 48.1 m-85 -60.19 -37.89 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.782 0.325 . . . . 0.54 110.781 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 30.7 t -66.52 -26.9 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 1.63 110.59 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.12 -33.42 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 2.2 110.088 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.78 -15.56 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 1.44 111.143 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -0.13 19.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.442 -0.885 . . . . 0.56 112.896 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.2 mm? -83.02 124.13 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.848 -0.427 . . . . 1.09 109.848 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -89.33 -176.78 5.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.684 -0.488 . . . . 1.66 109.684 175.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -55.94 -47.89 76.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 1.55 111.25 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.99 -37.63 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 2.22 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -68.49 -37.25 79.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.438 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.14 -46.53 90.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 1.42 109.767 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.85 95.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.612 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.0 m -62.67 -45.14 94.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.6 110.565 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.09 -43.64 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.44 110.9 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.65 -47.56 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.72 110.503 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -62.65 -36.12 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.97 -0.559 . . . . 1.21 111.158 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -65.67 -31.7 72.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 1.44 110.849 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 tp -81.69 -39.11 24.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.241 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.82 -45.1 78.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.972 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.92 -13.27 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.65 111.887 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 54' ' ' ASN . 90.2 t -82.9 -57.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.405 . . . . 0.58 110.7 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -85.53 -28.01 25.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.04 111.744 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 C-N-CA 120.807 -0.711 . . . . 1.23 111.357 -175.447 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.757 0.313 . . . . 1.59 111.412 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -85.5 -6.06 59.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.035 0.445 . . . . 1.94 110.478 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.65 89.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.67 109.32 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.69 -57.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.031 -0.531 . . . . 0.88 111.003 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.5 p -97.49 164.71 12.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.815 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 65.3 t -56.27 -42.19 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.6 110.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.17 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.553 -0.749 . . . . 0.36 111.93 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.26 -45.05 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 2.04 111.171 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.41 -42.7 61.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.912 0.387 . . . . 0.53 110.235 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.824 -0.625 . . . . 0.38 110.818 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 81' ' ' ARG . 43.9 ttp180 -54.56 -43.37 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 4.06 111.409 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.59 111.547 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -87.0 -13.83 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.517 -0.311 . . . . 0.9 111.387 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.94 -27.95 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.06 0.457 . . . . 0.72 110.488 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 2.83 110.979 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.835 0.35 . . . . 2.67 110.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.68 -42.15 96.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 2.94 110.635 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.95 -53.4 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.67 111.537 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.35 -31.04 49.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.65 0.262 . . . . 1.59 111.164 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.1 tpt -77.29 -37.42 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.75 110.735 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -72.5 -29.96 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.829 -0.434 . . . . 1.36 109.829 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.07 -51.03 68.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.62 110.571 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.2 p -67.34 -31.57 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 110.157 -0.312 . . . . 1.39 110.157 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 71.9 t80 -65.56 -45.02 84.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.65 110.615 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.98 -38.77 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 0.55 110.327 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.0 tp-100 -67.1 -49.6 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.601 -0.727 . . . . 1.37 111.025 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.0 m -65.51 -36.14 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.827 -0.349 . . . . 1.08 110.426 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.01 -44.59 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.252 0.548 . . . . 1.09 109.826 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 14.6 t60 -65.54 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.622 -0.717 . . . . 2.01 110.193 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 32.7 mm-40 -66.98 -49.93 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 1.54 110.31 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 82.8 mt -56.9 -44.62 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.112 -0.495 . . . . 0.45 110.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.64 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.51 111.77 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 47.0 mt-30 -74.36 -33.63 63.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.949 0.404 . . . . 2.35 110.722 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.99 -38.52 72.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.45 . . . . 0.69 110.24 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 85.5 mt -60.35 -39.3 86.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 1.67 110.144 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.08 93.14 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.699 -0.682 . . . . 0.94 111.934 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.42 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 1.19 110.688 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -73.16 -19.03 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 3.21 110.342 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.52 28.4 32.88 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.583 -0.735 . . . . 1.22 112.484 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.03 179.84 16.24 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.638 -0.791 . . . . 1.1 112.795 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.53 168.14 25.5 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.457 2.771 . . . . 1.64 112.366 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.06 108.96 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 2.51 110.218 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.4 164.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.878 -0.601 . . . . 1.34 111.355 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.33 97.9 11.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.566 . . . . 0.98 110.44 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.95 130.99 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.895 -0.593 . . . . 1.31 110.721 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.65 168.12 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.853 -0.612 . . . . 2.05 109.47 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.1 -11.66 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.176 -0.466 . . . . 0.7 112.043 -173.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -112.39 7.13 19.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.067 -0.396 . . . . 2.28 111.379 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -74.03 128.58 35.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 1.17 111.058 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -81.66 138.88 35.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.037 -0.727 . . . . 3.15 109.037 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -62.27 -23.37 66.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.54 111.018 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -63.7 -52.33 61.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.911 -0.586 . . . . 1.63 110.444 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -80.73 -10.27 59.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 2.2 110.995 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.82 -20.12 33.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 1.44 110.675 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.57 18.87 22.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.603 -0.808 . . . . 0.56 112.981 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.94 104.7 16.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.954 -0.387 . . . . 1.09 109.954 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.87 178.98 6.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.891 -0.595 . . . . 1.66 110.982 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -53.49 -64.72 0.73 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.072 0.768 . . . . 1.55 113.072 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.8 -37.29 86.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 2.22 111.094 -175.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -65.93 -45.67 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.882 -0.599 . . . . 1.11 110.451 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 tp -65.11 -41.72 94.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 1.42 110.416 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.096 0.474 . . . . 0.63 110.79 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.2 m -69.61 -38.42 77.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.6 110.284 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.378 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.1 mm -54.94 -53.01 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.872 -0.604 . . . . 0.72 110.667 177.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -62.6 -34.8 77.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 1.21 111.384 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.6 m-80 -61.28 -52.52 64.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 1.44 110.982 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.65 -37.35 79.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.411 . . . . 1.22 110.596 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 7.7 tm-20 -58.75 -44.68 90.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 1.81 110.063 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.12 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.65 111.157 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ASN . 79.5 t -66.18 -46.1 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.58 111.031 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.91 -47.74 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.823 0.345 . . . . 1.04 111.869 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.718 -176.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.887 0.375 . . . . 1.59 111.693 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 m -80.33 -26.07 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 1.94 110.052 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.92 89.46 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.99 -0.55 . . . . 0.67 109.595 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.15 -49.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.656 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.3 p -109.35 162.79 14.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.91 -0.587 . . . . 0.65 110.497 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.33 -33.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.934 0.397 . . . . 0.6 110.572 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.82 77.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.694 . . . . 0.36 111.283 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -59.97 -47.34 86.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.222 0.534 . . . . 2.04 110.16 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.64 -38.84 70.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.353 -0.839 . . . . 0.53 110.631 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.68 69.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.842 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.7 mtm-85 -63.53 -30.13 71.3 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.475 0.176 . . . . 4.06 111.475 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -40.48 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.59 110.571 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.434 ' OH ' ' HA ' ' A' ' 56' ' ' GLU . 72.3 m-85 -90.19 -15.21 31.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.9 111.642 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.81 -29.74 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 0.72 110.261 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.709 -0.678 . . . . 2.83 110.858 177.594 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.107 0.48 . . . . 2.67 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -71.65 -40.94 69.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 2.94 109.597 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.08 -52.93 62.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.134 -0.939 . . . . 2.67 111.111 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.85 -26.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.78 0.324 . . . . 1.59 110.933 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -75.75 -40.63 55.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.487 -0.324 . . . . 0.75 111.505 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.94 -23.75 52.42 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.832 -0.747 . . . . 1.36 109.95 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.59 -45.85 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 2.62 110.931 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.18 -37.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.948 -0.301 . . . . 1.39 110.527 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.9 t80 -62.19 -44.93 95.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.845 0.355 . . . . 0.65 110.174 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.99 -40.68 81.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.822 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.67 -47.13 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 1.37 110.927 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.5 m -67.48 -33.73 64.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 120.685 -0.406 . . . . 1.08 110.669 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.82 -49.13 76.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.306 0.574 . . . . 1.09 110.224 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -67.55 -39.31 84.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.585 -0.734 . . . . 2.01 110.849 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.37 -48.63 64.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.54 111.288 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.18 -42.89 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.45 110.746 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.12 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.51 111.432 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -79.48 -33.94 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 2.35 111.302 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.25 -46.4 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.69 110.315 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.09 -39.85 93.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 1.67 110.514 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.16 97.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.074 -0.584 . . . . 0.94 112.169 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.0 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 1.19 111.088 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -82.79 -31.58 28.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.159 0.504 . . . . 3.21 110.421 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.32 15.49 17.43 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.816 -0.707 . . . . 1.22 111.942 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.87 145.26 20.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.706 -0.759 . . . . 1.1 111.785 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.41 144.74 62.72 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.557 2.172 . . . . 1.64 111.868 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.42 112.63 18.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.3 -0.409 . . . . 2.51 110.602 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -111.06 178.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.919 -0.582 . . . . 1.34 110.77 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.25 102.24 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.98 111.224 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.82 126.08 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.117 0.484 . . . . 1.31 110.405 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.4 172.78 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 2.05 110.332 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -73.41 -35.12 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.938 0.399 . . . . 0.7 110.912 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -95.09 16.83 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.447 . . . . 2.28 110.52 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 t -85.75 146.88 26.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 1.17 110.242 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.77 130.76 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.184 -0.462 . . . . 3.15 110.102 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 89.1 m-85 -59.08 -31.56 69.01 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.463 -0.79 . . . . 0.54 111.837 -175.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -61.05 -34.18 74.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 1.63 110.892 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.08 -34.02 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.095 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -77.09 -5.59 49.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 1.44 110.864 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 28.88 13.17 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.683 -0.77 . . . . 0.56 111.86 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -107.89 119.49 39.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.718 -0.475 . . . . 1.09 109.718 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -96.75 -175.07 3.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.422 -0.354 . . . . 1.66 110.224 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -58.73 -41.22 85.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.765 0.317 . . . . 1.55 110.844 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.23 -42.22 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 2.22 110.589 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.94 -40.02 87.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.14 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 mt -65.9 -39.99 91.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.42 110.943 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.07 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.63 110.28 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -70.13 -44.92 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.842 -0.617 . . . . 0.6 110.834 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.41 -50.99 71.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.121 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.5 mt -62.78 -42.62 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.72 110.776 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 m -61.08 -36.95 81.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.256 0.55 . . . . 1.21 110.833 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -75.22 -31.61 60.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.583 -0.735 . . . . 1.44 110.517 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 2.5 mm? -70.23 -34.9 73.44 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.494 -0.321 . . . . 1.22 110.693 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.48 -38.24 71.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.81 110.195 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.94 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.65 111.576 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.16 -43.69 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.462 -0.335 . . . . 0.58 111.071 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -96.84 -30.18 13.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.208 0.447 . . . . 1.04 112.208 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 111.432 -0.667 . . . . 1.23 111.432 -175.44 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 111.945 0.35 . . . . 1.59 111.945 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -80.42 -30.24 37.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 1.94 110.44 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.68 90.23 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.779 -0.646 . . . . 0.67 109.929 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.47 -45.8 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.88 110.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -119.64 168.0 11.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.349 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.591 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 89.0 t -58.14 -40.0 75.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.371 . . . . 0.6 110.348 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.88 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.643 -0.708 . . . . 0.36 112.266 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.68 -41.27 88.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 2.04 110.863 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.11 -40.8 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.53 110.379 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.41 97.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.249 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.77 -31.76 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.683 0.278 . . . . 4.06 110.656 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.027 0.441 . . . . 0.59 110.475 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 55' ' ' LEU . 73.8 m-85 -87.77 -11.43 48.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.149 -0.478 . . . . 0.9 111.425 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.28 54.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.403 0.621 . . . . 0.72 109.395 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.143 -0.935 . . . . 2.83 109.574 174.429 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 121.126 0.488 . . . . 2.67 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -69.55 -34.69 74.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 2.94 110.093 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.74 -35.25 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 2.67 110.632 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.75 -47.29 91.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.092 0.473 . . . . 1.59 110.073 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.6 tpt -70.09 -34.46 73.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.701 -0.681 . . . . 0.75 110.326 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.14 -42.3 85.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.36 110.484 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.68 -50.92 71.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 2.62 111.204 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.47 -34.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 1.39 111.108 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' VAL . 60.7 t80 -70.15 -37.84 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.65 110.534 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.08 -31.01 71.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.55 109.959 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.11 -50.44 48.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.409 -0.814 . . . . 1.37 110.567 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.3 m -62.24 -36.71 75.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 120.844 -0.342 . . . . 1.08 110.584 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.17 -49.39 74.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.149 0.5 . . . . 1.09 110.158 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -59.95 -37.15 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.796 . . . . 2.01 110.76 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 84.9 mm-40 -74.16 -42.3 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 1.54 111.108 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' VAL . 84.9 mt -60.33 -43.24 93.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.526 -0.306 . . . . 0.45 110.454 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.34 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.51 110.879 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.83 -51.75 56.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 2.35 111.043 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 -52.52 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.69 111.188 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.05 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.233 -0.187 . . . . 1.67 111.089 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.72 72.44 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.746 -0.74 . . . . 0.94 112.144 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.29 55.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 1.19 111.037 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.87 -30.99 56.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 3.21 110.638 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.43 16.89 51.78 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.22 111.548 -176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 28' ' ' PRO . . . -96.95 148.1 18.89 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.086 -0.578 . . . . 1.1 112.034 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD3' ' HA2' ' A' ' 27' ' ' GLY . 27.2 Cg_exo -62.52 127.19 20.13 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.819 2.346 . . . . 1.64 112.578 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 tp -90.5 114.69 26.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.118 -0.492 . . . . 2.51 110.161 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 m -110.76 172.24 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 1.34 110.318 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.61 24.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.945 0.402 . . . . 0.98 110.924 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -105.44 139.86 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 1.31 110.457 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.94 171.63 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.157 -0.474 . . . . 2.05 109.785 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.96 -31.03 44.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.888 0.375 . . . . 0.7 111.082 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -93.18 5.67 50.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.272 0.558 . . . . 2.28 110.768 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.1 m -68.15 136.43 53.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.962 0.411 . . . . 1.17 110.651 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.0 130.72 36.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.88 -0.785 . . . . 3.15 108.88 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 86.5 m-85 -58.89 -39.63 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 0.54 111.842 -174.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 22.7 m -65.09 -41.08 95.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.017 0.437 . . . . 1.63 110.308 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.66 -28.38 65.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.615 -0.721 . . . . 2.2 110.304 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.5 tp -74.17 -20.13 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.626 -0.716 . . . . 1.44 110.713 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 7.94 12.04 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.86 -0.686 . . . . 0.56 113.13 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.4 mm? -104.57 123.2 47.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.35 . . . . 1.09 110.056 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 t -79.28 173.47 12.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.378 -0.601 . . . . 1.66 109.378 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 p -57.01 -40.87 77.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.88 0.371 . . . . 1.55 110.652 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.26 -43.47 98.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 2.22 110.6 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' HB3' HD12 ' A' ' 43' ' ' LEU . 19.8 m-20 -66.99 -42.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.819 -0.628 . . . . 1.11 109.995 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.0 tp -62.6 -40.91 98.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.476 -0.784 . . . . 1.42 110.436 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.05 87.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.878 0.37 . . . . 0.63 110.59 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -66.31 -42.08 88.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.6 110.089 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.4 tp -61.01 -47.83 84.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.44 111.091 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.6 mt -63.7 -43.72 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.72 111.317 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 p -67.77 -38.57 83.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 1.21 111.132 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 1.44 110.472 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.13 -36.84 75.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 1.22 110.267 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.92 -43.65 94.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.855 -0.611 . . . . 1.81 110.267 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.13 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.65 111.35 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.63 -48.47 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.365 . . . . 0.58 110.74 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.28 -44.91 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 1.04 111.821 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 121.017 -0.611 . . . . 1.23 111.945 -176.555 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 112.281 0.474 . . . . 1.59 112.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 m -75.37 -24.4 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.457 . . . . 1.94 110.444 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.14 98.56 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.696 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.45 -60.38 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.047 -0.524 . . . . 0.88 110.715 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -111.17 174.84 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.909 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 83.2 t -59.57 -35.78 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.181 0.515 . . . . 0.6 110.084 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.03 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.431 -0.804 . . . . 0.36 111.713 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.09 -35.53 81.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 2.04 110.71 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.7 tp -80.8 -50.75 9.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 0.53 110.913 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.21 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 0.38 111.88 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.99 -31.88 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 4.06 110.841 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.66 -56.5 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.59 111.017 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -66.37 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.561 -0.29 . . . . 0.9 111.343 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.63 61.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.72 111.627 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 2.83 110.927 176.614 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.173 0.511 . . . . 2.67 109.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -67.08 -40.46 86.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 2.94 109.551 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.75 -46.44 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.614 . . . . 2.67 111.623 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.39 -29.23 41.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.998 0.428 . . . . 1.59 110.084 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.7 tpt -68.1 -39.6 82.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.485 -0.561 . . . . 0.75 109.485 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.58 -40.96 84.64 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.942 -0.572 . . . . 1.36 110.369 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.28 -51.99 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.345 -0.843 . . . . 2.62 110.806 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.86 -43.96 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.39 111.407 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.447 -0.342 . . . . 0.65 111.316 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.9 -33.31 75.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.55 110.146 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 56.3 tp60 -63.32 -55.06 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 1.37 110.605 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.2 m -63.91 -36.2 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 1.08 110.991 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.73 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.982 0.42 . . . . 1.09 110.106 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 51.7 t-80 -56.73 -44.58 81.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 2.01 110.501 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -63.87 -41.86 97.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 1.54 110.838 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.8 mt -58.72 -46.73 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.45 110.362 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -34.77 76.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.717 -0.674 . . . . 0.51 111.485 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -72.14 -43.32 64.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.62 0.248 . . . . 2.35 111.041 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.8 -44.84 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.69 110.554 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 22' ' ' LEU . 14.0 tp -68.34 -37.41 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 1.67 110.633 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.67 95.13 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.113 -0.565 . . . . 0.94 112.381 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.45 -18.15 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.112 0.482 . . . . 1.19 110.968 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -82.72 -20.75 35.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 3.21 110.292 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 9.38 44.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.73 . . . . 1.22 111.992 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.87 157.84 23.03 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.993 -0.622 . . . . 1.1 111.97 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.86 157.29 47.69 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.775 2.316 . . . . 1.64 111.768 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -74.58 108.69 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.53 -0.915 . . . . 2.51 108.53 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 m -87.97 156.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 1.34 111.364 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.07 100.16 8.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.98 109.581 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.12 114.5 17.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.82 -0.627 . . . . 1.31 110.821 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 24.7 mm-40 -95.2 153.03 17.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.273 -0.64 . . . . 2.05 109.273 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 77' ' ' ALA . 9.9 tp -64.86 -26.52 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.093 0.473 . . . . 0.7 110.822 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -98.64 4.77 48.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 2.28 111.337 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 33' ' ' GLU . 73.6 m -67.01 117.67 9.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.411 . . . . 1.17 111.3 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -69.41 126.31 29.38 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.296 -1.001 . . . . 3.15 108.296 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' HD21 ' A' ' 48' ' ' LEU . 45.9 m-85 -49.93 -53.0 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.791 0.663 . . . . 0.54 112.791 -169.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.0 m -66.01 -29.27 69.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.738 0.304 . . . . 1.63 111.465 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.42 -30.49 64.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 2.2 110.292 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 tp -79.77 -17.24 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 1.44 110.654 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.22 5.0 15.37 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.839 -0.696 . . . . 0.56 112.999 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.88 103.42 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.959 0.409 . . . . 1.09 110.169 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 -178.99 7.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.191 -0.458 . . . . 1.66 111.399 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -50.54 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 1.55 111.87 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.1 -40.99 91.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 2.22 110.815 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 -41.24 98.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 1.11 110.445 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 38' ' ' PHE . 34.6 mt -59.41 -47.53 85.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 1.42 111.28 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -47.17 80.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.63 110.398 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -65.1 -43.34 92.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.6 110.871 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.03 -54.11 48.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.342 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 48' ' ' LEU . 35.1 mt -67.43 -28.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.337 -0.392 . . . . 0.72 110.898 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -66.5 -41.71 88.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.841 0.353 . . . . 1.21 110.577 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.18 -36.57 77.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 1.44 109.837 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.57 -36.19 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 1.22 110.417 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.68 -45.36 81.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.181 -0.463 . . . . 1.81 110.219 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.06 63.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.65 111.421 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.49 -50.94 19.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.414 -0.357 . . . . 0.58 110.798 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.76 -32.62 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 1.04 112.119 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.184 0 C-N-CA 121.024 -0.608 . . . . 1.23 112.033 -177.246 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.786 0.327 . . . . 1.59 111.642 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -79.93 -19.26 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.382 -0.599 . . . . 1.94 109.382 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.93 89.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.666 -0.697 . . . . 0.67 109.419 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.06 -51.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.129 -0.487 . . . . 0.88 110.551 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -107.22 162.43 13.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.583 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.52 -37.73 53.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.6 110.192 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -52.94 -38.7 62.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.649 -0.705 . . . . 0.36 111.681 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -63.52 -48.27 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 2.04 110.918 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.5 tp -70.96 -42.72 69.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.53 110.48 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.28 83.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.38 111.39 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 47.8 mtm105 -62.04 -36.11 80.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.718 -0.219 . . . . 4.06 111.288 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.16 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.59 110.918 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.25 -12.57 57.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.9 111.39 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.57 -24.52 61.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 0.72 110.131 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 79.7 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 2.83 110.393 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.849 0.357 . . . . 2.67 110.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -63.12 -36.04 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.94 110.619 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 92.1 mt-30 -63.59 -50.86 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.108 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.2 -36.54 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.59 110.463 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.51 -37.03 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.749 -0.66 . . . . 0.75 110.849 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.12 -37.98 87.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.08 0.467 . . . . 1.36 110.089 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 92.1 mt-30 -63.95 -46.42 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 2.62 111.16 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.9 p -70.84 -35.52 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.955 -0.298 . . . . 1.39 110.533 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HA ' HG22 ' A' ' 14' ' ' VAL . 55.2 t80 -63.12 -43.75 97.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.641 0.257 . . . . 0.65 110.413 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.09 -36.25 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.55 110.933 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 11.7 tt0 -77.35 -45.2 26.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.988 -0.551 . . . . 1.37 111.053 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 11' ' ' PHE . 12.5 m -66.03 -33.76 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.723 -0.391 . . . . 1.08 110.303 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.37 -45.87 90.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.184 0.516 . . . . 1.09 109.784 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 32.5 t-80 -62.32 -40.7 97.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 2.01 110.415 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 12.5 mm100 -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 1.54 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.9 mt -58.67 -45.32 90.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.15 0.5 . . . . 0.45 109.851 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.0 71.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.74 . . . . 0.51 111.371 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.3 mm-40 -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 2.35 110.349 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.5 -42.33 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.69 110.248 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 84.8 mt -60.67 -41.76 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 1.67 110.403 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.95 -36.16 90.57 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.718 -0.674 . . . . 0.94 112.114 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -32.64 74.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 1.19 110.745 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -77.44 -22.18 51.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 3.21 110.37 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.07 22.31 78.03 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.319 -0.855 . . . . 1.22 111.563 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.09 177.56 33.97 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.791 -0.719 . . . . 1.1 112.794 -174.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.97 146.13 51.9 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.182 2.588 . . . . 1.64 111.939 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.63 134.53 48.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 2.51 110.369 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.05 171.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.991 -0.55 . . . . 1.34 110.506 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 106.13 18.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.721 -0.474 . . . . 0.98 109.721 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.36 112.15 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.428 0.632 . . . . 1.31 112.149 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -112.81 174.65 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.948 -0.76 . . . . 2.05 108.948 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -72.09 -26.35 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.466 0.65 . . . . 0.7 110.141 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.39 2.53 52.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 2.28 111.026 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -75.55 143.24 42.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 1.17 111.112 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -90.04 140.27 29.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.026 -0.731 . . . . 3.15 109.026 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.4 ' CG ' HD21 ' A' ' 48' ' ' LEU . 78.7 m-85 -64.69 -16.77 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.478 0.547 . . . . 0.54 112.478 -172.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 t -65.21 -34.91 79.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.101 0.477 . . . . 1.63 109.819 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.24 -12.3 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 2.2 110.204 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.05 1.95 39.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.777 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 31.34 68.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.56 112.564 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 mt -119.24 119.35 33.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.9 0.381 . . . . 1.09 110.59 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 t -96.47 -173.47 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.391 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 t -58.62 -41.55 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.004 0.431 . . . . 1.55 110.774 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.98 -39.5 93.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.353 0.597 . . . . 2.22 110.541 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -71.2 -35.95 71.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 1.11 109.928 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 52' ' ' ILE . 29.3 mt -60.88 -49.76 76.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.882 -0.599 . . . . 1.42 110.814 175.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.5 71.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.283 0.563 . . . . 0.63 110.585 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 m -69.13 -44.0 73.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.6 110.804 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.36 -45.44 91.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.44 111.096 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 48' ' ' LEU . 68.4 mt -60.55 -37.49 75.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.72 110.424 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m -69.51 -35.05 75.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.376 -0.375 . . . . 1.21 110.803 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.06 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 1.44 110.914 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 tp -87.22 -31.24 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.139 0.495 . . . . 1.22 110.17 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.27 -48.52 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.452 -0.795 . . . . 1.81 110.94 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.32 -9.3 46.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.65 111.936 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.19 -46.03 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.578 -0.283 . . . . 0.58 110.871 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -98.07 -19.05 18.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.141 0.423 . . . . 1.04 112.141 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.442 0 C-N-CA 120.72 -0.753 . . . . 1.23 111.572 -177.116 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 1.59 111.384 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -68.85 -22.26 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 1.94 110.518 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -81.46 96.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.948 -0.569 . . . . 0.67 110.338 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.55 -53.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 0.88 110.086 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -117.98 176.85 5.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.205 -0.452 . . . . 0.65 110.88 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.54 -35.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.607 -0.516 . . . . 0.6 109.607 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.71 71.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.382 -0.827 . . . . 0.36 111.659 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.6 -45.32 85.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.018 0.437 . . . . 2.04 110.816 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.14 -47.23 45.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.53 110.984 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.27 64.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.38 111.742 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -66.72 -23.27 66.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 4.06 111.222 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.85 -53.22 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.413 -0.358 . . . . 0.59 110.376 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -79.6 -20.96 45.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.9 111.303 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -28.17 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.72 110.734 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 2.83 110.842 177.47 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.838 0.351 . . . . 2.67 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.08 -29.5 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.302 -0.408 . . . . 2.94 110.505 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.41 -52.82 50.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 2.67 110.751 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.79 -29.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 1.59 110.477 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.1 tpt -62.98 -44.94 94.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.709 -0.478 . . . . 0.75 109.709 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.0 -38.43 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.36 110.351 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.1 -51.28 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 2.62 110.447 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.11 -45.11 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.607 -0.724 . . . . 1.39 110.686 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HA ' HG22 ' A' ' 14' ' ' VAL . 90.1 t80 -61.75 -45.85 92.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.65 110.833 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.96 -40.6 85.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 0.55 110.799 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.5 -46.1 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.895 -0.593 . . . . 1.37 111.062 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 20.6 m -70.55 -35.71 62.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.84 -0.344 . . . . 1.08 110.469 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.08 -48.57 79.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.183 0.516 . . . . 1.09 110.065 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.08 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.322 -0.853 . . . . 2.01 110.047 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 tp-100 -69.99 -42.35 73.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.976 -0.556 . . . . 1.54 110.598 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 97.6 mt -58.94 -47.34 90.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.914 0.388 . . . . 0.45 110.34 176.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.99 81.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.763 -0.653 . . . . 0.51 110.77 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -62.51 -44.63 95.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 2.35 110.861 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 17' ' ' GLN . 84.5 t -63.6 -43.19 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.675 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.55 -44.69 95.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.67 110.765 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.54 -36.2 87.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.83 -0.623 . . . . 0.94 112.16 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.3 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 1.19 110.841 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.02 -10.32 59.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 3.21 111.087 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.15 76.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.939 -0.648 . . . . 1.22 111.793 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.76 167.62 25.77 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.933 -0.651 . . . . 1.1 112.193 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.23 124.62 14.19 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.844 2.363 . . . . 1.64 112.052 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.1 tp -71.46 109.48 5.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.126 0.488 . . . . 2.51 110.205 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.95 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.592 -0.731 . . . . 1.34 110.703 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.07 90.79 7.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.146 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -77.37 122.69 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.893 -0.594 . . . . 1.31 110.687 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.33 179.86 4.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.583 -0.735 . . . . 2.05 110.163 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -61.37 -41.03 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 112.306 0.484 . . . . 0.7 112.306 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.23 22.65 13.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.913 0.387 . . . . 2.28 111.452 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HB3' HD21 ' A' ' 41' ' ' LEU . 56.5 m -75.75 140.97 42.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.322 -0.399 . . . . 1.17 110.395 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 49.5 mtp180 -94.99 127.97 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.205 0.526 . . . . 3.15 109.816 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CG ' HD21 ' A' ' 48' ' ' LEU . 62.8 m-85 -56.11 -37.46 69.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.985 -1.007 . . . . 0.54 112.424 -172.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -59.42 -42.2 91.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.137 0.494 . . . . 1.63 111.031 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.28 -15.22 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 2.2 110.759 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 36' ' ' SER . 88.5 mt -88.22 -20.79 25.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.48 . . . . 1.44 110.781 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.62 17.34 10.58 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.8 -0.714 . . . . 0.56 112.491 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.3 mm? -105.45 100.19 9.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.829 -0.434 . . . . 1.09 109.829 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -83.54 -173.03 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.204 -0.453 . . . . 1.66 110.344 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 m -57.5 -49.43 76.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 1.55 111.131 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.19 -37.07 86.14 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.247 -0.433 . . . . 2.22 110.759 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.04 -45.74 90.82 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.945 -0.391 . . . . 1.11 109.945 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 38' ' ' PHE . 51.7 mt -63.03 -48.16 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.42 111.211 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.19 -42.32 69.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.63 110.658 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -71.48 -46.06 60.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.6 110.629 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.57 -49.74 76.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.517 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.2 mt -63.64 -38.36 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.711 0.291 . . . . 0.72 110.57 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 35.1 m -70.0 -34.87 73.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 1.21 110.375 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -69.04 -30.67 69.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.862 -0.608 . . . . 1.44 109.837 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.13 -21.72 49.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.568 . . . . 1.22 110.806 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 53' ' ' SER . 25.4 tt0 -62.34 -37.97 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.286 0.565 . . . . 1.81 109.668 173.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 -11.52 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.65 110.672 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.5 t -92.43 -59.11 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.58 110.822 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -96.22 -50.26 4.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.04 111.293 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 121.064 -0.588 . . . . 1.23 112.331 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 1.59 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -78.59 -18.43 54.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.003 -0.544 . . . . 1.94 110.261 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.96 89.4 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.67 109.525 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.92 -49.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.093 -0.503 . . . . 0.88 110.609 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 p -107.97 165.79 11.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.65 110.68 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.69 -37.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.826 0.346 . . . . 0.6 110.115 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 81' ' ' ARG . . . -51.76 -44.69 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.36 111.807 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -58.67 -41.13 85.44 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.941 0.401 . . . . 2.04 111.05 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.8 tp -79.42 -40.34 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.53 110.762 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.1 81.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.38 111.176 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 5.7 ptp180 -65.46 -25.53 67.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.733 -0.212 . . . . 4.06 111.016 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.61 28.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.923 0.392 . . . . 0.59 110.563 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -75.44 -23.07 56.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.9 111.531 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.52 -17.68 50.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.345 . . . . 0.72 111.399 179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.323 -0.398 . . . . 2.83 110.556 178.11 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 121.143 0.497 . . . . 2.67 110.527 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -83.48 -27.22 29.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.175 -0.466 . . . . 2.94 110.672 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -66.0 -48.76 70.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 2.67 110.546 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.01 -29.66 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.992 0.425 . . . . 1.59 110.209 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.49 -41.15 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.013 -0.54 . . . . 0.75 109.745 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.54 -31.85 73.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.68 -0.691 . . . . 1.36 110.842 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.77 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 2.62 110.063 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.46 -41.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 1.39 110.23 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 57.4 t80 -61.72 -38.81 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.651 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.71 -36.55 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.55 110.637 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.05 -43.27 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 1.37 110.947 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 11' ' ' PHE . 15.9 m -70.71 -36.37 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.66 -0.416 . . . . 1.08 110.144 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.28 -46.56 89.83 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.674 -0.491 . . . . 1.09 109.674 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -55.47 -48.36 74.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.236 -0.893 . . . . 2.01 110.129 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -63.25 -46.6 86.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 1.54 111.613 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.4 mt -58.12 -49.0 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.45 110.855 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.13 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.51 110.981 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.45 -46.56 79.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 2.35 110.718 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.83 -60.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.69 111.11 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.29 -45.9 92.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 1.67 111.458 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.31 93.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.052 -0.594 . . . . 0.94 112.96 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 1.19 111.239 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -90.01 6.26 43.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 3.21 111.114 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.18 23.76 73.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.858 -0.686 . . . . 1.22 112.727 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.13 164.78 53.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.934 -0.651 . . . . 1.1 112.015 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 137.09 41.34 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.574 2.183 . . . . 1.64 111.873 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.0 108.69 7.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 2.51 109.843 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 m -113.47 149.28 15.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.716 -0.674 . . . . 1.34 110.587 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.61 93.11 8.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.936 0.398 . . . . 0.98 110.595 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.19 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.519 . . . . 1.31 110.378 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -117.81 157.32 26.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.887 -0.597 . . . . 2.05 109.776 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -68.83 -20.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.186 0.517 . . . . 0.7 110.422 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -100.5 -5.48 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 2.28 111.616 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.5 p -86.28 156.59 20.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.925 0.393 . . . . 1.17 111.293 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HG2' HG12 ' A' ' 74' ' ' VAL . 78.3 mtp180 -86.37 138.89 31.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.828 -0.623 . . . . 3.15 109.771 176.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 90.5 m-85 -56.85 -28.81 62.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.916 -0.584 . . . . 0.54 111.212 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 m -61.03 -34.61 75.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.64 . . . . 1.63 111.214 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.32 -29.64 64.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.014 0.435 . . . . 2.2 110.791 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.99 -6.66 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 1.44 110.291 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.02 35.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.976 -0.63 . . . . 0.56 112.463 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -102.47 108.59 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.807 0.337 . . . . 1.09 110.44 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 t -89.08 -177.38 5.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.158 -0.474 . . . . 1.66 109.786 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -60.34 -41.17 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 1.55 110.529 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.72 -39.81 90.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 2.22 110.747 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.91 -45.73 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 1.11 110.033 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -36.33 82.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.513 -0.767 . . . . 1.42 111.421 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.11 75.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.63 110.403 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 m -69.51 -45.28 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.654 . . . . 0.6 110.613 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.89 -53.38 58.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.568 -0.742 . . . . 0.44 111.228 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.83 -31.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.91 -0.586 . . . . 0.72 110.874 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.7 m -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.21 110.828 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.6 m-20 -69.65 -39.91 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 1.44 110.192 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -38.89 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.756 -0.656 . . . . 1.22 110.352 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.64 -45.51 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.578 -0.737 . . . . 1.81 110.394 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.58 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 0.65 111.554 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.6 t -70.16 -39.58 77.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.58 111.264 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.18 -46.8 6.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.911 0.386 . . . . 1.04 111.398 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 111.317 -0.713 . . . . 1.23 111.317 -175.211 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.193 0.52 . . . . 1.59 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -90.88 -10.91 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.94 110.309 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -85.41 97.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.463 -0.569 . . . . 0.67 109.463 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.441 HG12 ' HG2' ' A' ' 37' ' ' ARG . 59.6 t -105.98 -60.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.057 -0.519 . . . . 0.88 110.893 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -95.18 156.66 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.099 -0.501 . . . . 0.65 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 61.3 t -63.29 -28.88 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.094 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.66 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.538 -0.755 . . . . 0.36 111.586 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.85 -40.94 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 2.04 111.103 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.0 tp -71.45 -47.01 58.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.53 110.637 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.81 96.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.007 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.53 -31.67 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 4.06 111.034 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.54 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.59 111.165 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.36 -14.41 38.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.9 110.97 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.66 -32.01 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.72 110.893 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 2.83 111.336 -178.59 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 121.181 0.515 . . . . 2.67 109.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -76.36 -28.94 57.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 2.94 110.633 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.62 -54.89 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 2.67 110.898 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.5 p -63.93 -36.21 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 1.59 110.653 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 tpt -64.67 -39.3 93.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.75 110.076 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.92 -40.62 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 1.36 110.312 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.61 -44.52 93.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.893 -0.594 . . . . 2.62 110.526 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' VAL . 87.0 t -66.99 -43.56 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.958 -0.565 . . . . 1.39 110.879 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HA ' HG22 ' A' ' 14' ' ' VAL . 83.7 t80 -61.63 -42.33 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.558 -0.292 . . . . 0.65 110.797 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.94 -36.56 84.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.55 110.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.59 -53.39 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.607 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.3 m -62.17 -34.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 120.538 0.208 . . . . 1.08 110.871 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.59 -44.81 95.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.094 0.473 . . . . 1.09 110.328 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 11.1 t-160 -74.57 -38.5 62.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.933 -0.576 . . . . 2.01 110.825 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.04 -45.64 92.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 1.54 110.812 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.79 -42.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.45 110.391 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.37 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.51 111.224 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 14.5 mm100 -69.55 -43.99 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 2.35 110.746 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.81 -49.22 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.441 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.43 -38.6 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 1.67 111.087 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.32 -43.6 96.67 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.963 -0.637 . . . . 0.94 112.258 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.61 70.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 1.19 110.925 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -67.69 -27.51 66.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 3.21 110.741 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.08 54.44 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.742 -0.663 . . . . 1.22 111.744 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.47 166.0 29.04 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.896 -0.668 . . . . 1.1 112.084 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.25 137.53 26.13 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.879 2.386 . . . . 1.64 111.807 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.8 pp -63.77 146.03 54.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 2.51 110.572 178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.4 164.28 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.837 0.351 . . . . 1.34 111.326 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 102.72 14.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.916 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 p -90.11 122.17 41.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 1.31 111.438 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.39 169.95 8.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.343 -0.844 . . . . 2.05 109.762 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 tp -70.36 -38.87 75.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.885 0.374 . . . . 0.7 110.753 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -91.86 14.35 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 2.28 110.853 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 t -79.2 144.15 34.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.957 0.408 . . . . 1.17 110.746 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -89.59 133.28 34.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.75 -0.659 . . . . 3.15 109.845 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 m-85 -57.93 -39.03 77.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.149 -0.932 . . . . 0.54 112.411 -173.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.0 m -69.7 -25.64 63.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.24 . . . . 1.63 111.337 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.54 -24.92 45.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.305 0.574 . . . . 2.2 109.784 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.37 -15.33 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 1.44 110.561 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.75 -6.79 25.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.698 -0.763 . . . . 0.56 112.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.74 104.18 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.189 -0.3 . . . . 1.09 110.189 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -78.03 -176.57 4.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.659 -0.497 . . . . 1.66 109.659 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.8 t -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.782 0.325 . . . . 1.55 110.886 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.49 -43.39 73.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.243 -0.435 . . . . 2.22 110.942 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.28 -44.38 95.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.317 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 tp -60.12 -44.04 95.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 1.42 110.556 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.38 86.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.13 0.49 . . . . 0.63 110.613 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -64.16 -41.97 96.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.6 110.436 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.43 -49.45 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.785 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 65.9 mt -58.54 -49.06 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.72 111.112 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.7 m -57.99 -40.22 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.318 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.492 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m-80 -72.84 -42.55 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.429 -0.351 . . . . 1.44 111.007 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.26 -40.69 96.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 1.22 110.574 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.06 -43.4 82.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.45 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.36 73.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.65 111.349 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ASN . 74.6 t -58.66 -49.23 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.58 110.746 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.79 -38.51 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 1.04 110.976 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.421 0 C-N-CA 120.772 -0.728 . . . . 1.23 112.016 -179.77 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.919 0.39 . . . . 1.59 111.28 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -86.79 -9.85 54.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.231 -0.44 . . . . 1.94 110.345 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 mm -97.09 89.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.791 -0.448 . . . . 0.67 109.791 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.97 -42.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.18 -0.464 . . . . 0.88 110.547 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 p -107.36 159.64 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.14 -0.482 . . . . 0.65 110.845 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 98.8 t -54.28 -43.0 59.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.894 0.378 . . . . 0.6 110.617 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.0 58.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.446 -0.797 . . . . 0.36 112.085 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.12 -50.96 71.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.438 . . . . 2.04 110.768 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.1 -37.17 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.53 110.607 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.78 71.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.516 . . . . 0.38 111.348 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 11.7 ptm180 -68.11 -19.24 64.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.536 -0.302 . . . . 4.06 111.167 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.12 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.59 110.528 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -84.77 -22.29 29.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.9 111.084 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 81' ' ' ARG . . . -72.88 -8.24 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.72 110.674 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.554 -0.748 . . . . 2.83 110.497 176.459 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 121.115 0.483 . . . . 2.67 110.113 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 2.94 110.854 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.19 -50.2 66.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 2.67 110.569 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.58 -28.94 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.944 0.402 . . . . 1.59 110.223 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.6 tpt -71.78 -39.71 69.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.02 -0.536 . . . . 0.75 109.841 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -36.72 82.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.707 -0.679 . . . . 1.36 110.276 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.87 -49.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 2.62 111.648 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.51 -34.73 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.816 -0.354 . . . . 1.39 110.393 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 14' ' ' VAL . 92.3 t80 -65.96 -41.51 91.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.65 110.056 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.86 -38.57 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.55 110.576 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -66.25 -53.95 30.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.37 110.661 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 11' ' ' PHE . 33.1 m -66.11 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.638 -0.255 . . . . 1.08 111.003 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.04 -50.92 71.78 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.228 0.537 . . . . 1.09 109.885 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.47 -37.99 88.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.535 -0.757 . . . . 2.01 110.439 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.7 tp60 -61.78 -45.61 93.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 1.54 110.363 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.8 mt -62.1 -43.06 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.45 110.365 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.65 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.049 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.93 -41.68 99.55 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.386 -0.37 . . . . 2.35 110.774 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' GLN . 65.0 t -65.26 -44.96 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.69 110.437 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 89.9 mt -59.92 -44.12 94.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.67 110.416 177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.57 -37.29 94.53 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.94 112.188 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.83 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 1.19 110.958 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -74.65 -14.97 60.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 3.21 110.855 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.46 23.04 74.41 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 1.22 111.877 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.19 171.26 28.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.826 -0.702 . . . . 1.1 111.95 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.09 143.19 43.86 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.819 2.346 . . . . 1.64 111.795 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.3 109.32 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.268 -0.424 . . . . 2.51 110.07 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.81 172.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.886 -0.597 . . . . 1.34 110.831 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.42 106.34 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.352 -0.385 . . . . 0.98 110.812 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.16 115.11 42.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.39 0.614 . . . . 1.31 110.651 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' H ' ' HB2' ' A' ' 36' ' ' SER . 46.1 mt-10 -113.73 173.08 6.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.83 -0.623 . . . . 2.05 110.294 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.09 -41.01 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.871 0.323 . . . . 0.7 111.871 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.41 33.86 3.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.458 0.647 . . . . 2.28 109.927 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' HB2' ' H ' ' A' ' 33' ' ' GLU . 7.4 t -89.96 159.81 16.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.097 -0.501 . . . . 1.17 110.257 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' LEU . 60.9 mtm180 -106.99 126.12 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 3.15 110.91 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 83.9 m-85 -54.39 -36.02 63.48 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.497 -0.774 . . . . 0.54 111.185 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -56.21 -45.3 79.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 1.63 111.234 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.12 -31.13 62.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 2.2 110.715 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG . 8.0 mp -68.24 -19.77 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.641 . . . . 1.44 111.254 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 -7.57 21.39 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.679 -0.772 . . . . 0.56 111.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.57 99.48 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.919 0.39 . . . . 1.09 109.957 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -85.69 -170.68 3.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.387 -0.597 . . . . 1.66 109.387 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -54.82 -48.79 72.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.991 0.367 . . . . 1.55 111.991 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.88 -41.71 82.37 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.005 0.431 . . . . 2.22 110.962 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -42.42 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 1.11 109.95 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 52' ' ' ILE . 59.8 tp -62.56 -48.32 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.53 -0.759 . . . . 1.42 110.652 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.94 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 0.63 110.78 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.0 m -68.52 -42.94 77.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.837 -0.62 . . . . 0.6 110.399 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.44 110.67 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 48' ' ' LEU . 46.2 mm -59.26 -48.54 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.72 109.985 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -59.02 -36.48 75.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 1.21 110.942 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.44 110.789 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.03 -36.74 72.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 1.22 110.64 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -56.84 -43.07 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.916 -0.584 . . . . 1.81 109.882 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.68 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.978 -0.556 . . . . 0.65 111.651 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -74.76 -40.84 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.58 111.174 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.36 -48.96 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.971 0.36 . . . . 1.04 111.971 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.935 -0.65 . . . . 1.23 111.642 -175.134 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.956 0.408 . . . . 1.59 111.062 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -78.24 -17.67 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 1.94 110.398 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.58 87.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.374 0.607 . . . . 0.67 109.832 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 58.9 t -128.87 -45.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.838 -0.801 . . . . 0.88 108.838 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 36' ' ' SER . 21.8 m -83.15 134.76 34.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.168 -0.924 . . . . 0.65 109.111 173.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 t -58.09 -36.27 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.982 -0.554 . . . . 0.6 111.356 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -30.96 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.36 111.814 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.25 -47.4 73.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.095 0.474 . . . . 2.04 109.818 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.66 -42.53 95.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.53 110.421 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.24 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.38 110.588 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.77 -39.71 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 4.06 110.774 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.01 86.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.59 111.677 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -90.56 -10.2 44.32 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.907 -0.317 . . . . 0.9 111.745 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.08 -23.74 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.685 0.279 . . . . 0.72 110.957 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 2.83 111.158 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.838 0.351 . . . . 2.67 110.375 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -66.16 -40.83 90.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 2.94 110.573 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.35 -50.52 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.475 . . . . 2.67 110.953 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.2 p -67.43 -36.64 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.885 -0.326 . . . . 1.59 110.597 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.86 -42.45 90.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.75 110.368 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.17 -41.56 99.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.36 110.01 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -60.51 -44.32 96.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 2.62 110.504 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' ALA . 91.5 t -62.8 -51.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.932 -0.577 . . . . 1.39 110.7 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.02 -36.17 80.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.65 110.581 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.61 -43.89 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.082 0.468 . . . . 0.55 110.418 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 51.8 tp60 -70.91 -40.52 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.545 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 10' ' ' VAL . 99.8 t -61.26 -46.2 97.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.933 -0.395 . . . . 1.08 109.933 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.63 -44.78 69.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.742 -0.663 . . . . 1.09 110.5 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 56.9 t-80 -59.79 -40.8 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 2.01 110.889 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 9.3 mm100 -73.08 -34.32 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 1.54 110.623 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.2 mt -65.59 -42.16 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.853 -0.425 . . . . 0.45 109.853 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.88 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.51 110.575 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 15.2 mm-40 -54.96 -47.38 74.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.993 -0.549 . . . . 2.35 110.42 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 61.0 t -60.34 -63.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.637 . . . . 0.69 110.988 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.04 -41.46 87.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.504 -0.316 . . . . 1.67 111.325 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -48.06 79.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.952 -0.642 . . . . 0.94 112.659 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -19.81 61.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.733 0.272 . . . . 1.19 111.733 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 31.5 mmmt -76.67 -22.03 54.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.907 0.384 . . . . 3.21 110.82 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.96 18.62 77.81 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.847 -0.615 . . . . 1.22 112.035 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.18 -153.79 30.52 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.849 -0.691 . . . . 1.1 112.479 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.65 131.17 12.21 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.664 2.242 . . . . 1.64 112.029 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.07 109.97 19.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 2.51 110.542 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.91 162.23 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.915 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.98 114.54 26.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.98 110.364 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.14 125.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 1.31 111.144 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -116.65 175.45 5.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.673 -0.694 . . . . 2.05 109.833 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.97 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.936 -0.305 . . . . 0.7 111.387 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -96.44 19.21 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.776 0.287 . . . . 2.28 111.776 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -70.73 129.29 38.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.043 0.449 . . . . 1.17 111.261 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.9 mtp180 -81.26 128.39 33.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.494 -0.775 . . . . 3.15 109.098 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -57.93 -32.85 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.54 111.81 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 p -64.22 -43.22 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.6 . . . . 1.63 110.784 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.48 -22.4 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.41 -0.814 . . . . 2.2 110.47 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -78.39 -21.08 49.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.589 . . . . 1.44 110.691 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.74 13.65 15.88 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.585 -0.817 . . . . 0.56 113.074 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.42 115.0 26.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.831 0.348 . . . . 1.09 110.121 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -77.89 175.36 10.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 1.66 109.635 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -54.99 -50.77 68.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.819 0.343 . . . . 1.55 110.915 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.52 -35.5 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 2.22 110.993 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.42 -41.68 88.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.11 110.433 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.3 tp -63.25 -45.17 92.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 1.42 110.014 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.19 87.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.63 110.907 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.2 m -65.42 -42.25 92.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.6 110.075 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.3 tp -58.71 -38.89 79.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.44 110.575 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 48' ' ' LEU . 50.8 mm -58.89 -42.95 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.72 110.379 177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 t -65.51 -41.76 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 1.21 110.55 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.52 -31.71 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 1.44 111.053 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.9 -32.37 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 1.22 110.074 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.49 -38.0 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 1.81 110.283 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.76 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.65 111.68 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.9 -55.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.78 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -89.57 -20.1 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.952 0.353 . . . . 1.04 111.952 -174.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.196 0 CA-C-N 116.132 -0.486 . . . . 1.23 112.852 177.657 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.709 0.29 . . . . 1.59 111.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -80.5 -11.32 59.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.346 . . . . 1.94 110.833 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.2 mm -83.98 91.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.492 -0.559 . . . . 0.67 109.492 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 48.5 t -89.55 -52.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.199 -0.455 . . . . 0.88 110.577 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -103.47 160.23 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.231 -0.44 . . . . 0.65 110.844 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.4 -31.39 53.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.045 0.45 . . . . 0.6 110.088 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.52 -48.03 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.36 112.006 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.045 0.45 . . . . 2.04 110.793 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.84 -40.33 72.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.53 110.579 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.53 98.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.38 110.765 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 52.8 mtp180 -57.15 -41.49 79.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.156 -0.475 . . . . 4.06 110.933 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.21 82.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.59 111.131 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -81.45 -9.39 59.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.9 111.818 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HA ' HG21 ' A' ' 10' ' ' VAL . . . -78.2 -37.92 44.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.911 0.386 . . . . 0.72 110.472 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.075 -0.511 . . . . 2.83 110.094 178.096 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.2 t30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.076 0.465 . . . . 2.67 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -77.46 -37.54 51.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 2.94 110.235 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.22 -44.97 95.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 2.67 111.122 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.35 -33.76 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 1.59 110.789 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tpt -66.71 -43.87 83.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.75 110.077 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.39 -29.99 67.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.714 -0.675 . . . . 1.36 110.488 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.35 -53.27 51.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.822 -0.627 . . . . 2.62 110.572 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.0 -30.82 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.407 -0.36 . . . . 1.39 110.78 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.416 ' HA ' HG22 ' A' ' 14' ' ' VAL . 70.6 t80 -64.87 -40.73 95.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.985 0.422 . . . . 0.65 110.236 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.33 -39.1 91.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.106 0.479 . . . . 0.55 110.277 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.54 -50.82 61.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 1.37 110.835 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.3 m -62.91 -33.31 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.098 0 C-N-CA 121.229 -0.188 . . . . 1.08 110.824 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.03 -49.99 75.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 1.09 109.888 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -63.03 -40.55 98.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.695 -0.684 . . . . 2.01 110.355 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.2 mm100 -57.44 -53.45 57.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 1.54 110.658 176.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.1 mt -58.92 -44.17 90.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.45 110.71 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.93 93.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.51 111.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.09 -37.86 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.632 -0.258 . . . . 2.35 111.233 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 17' ' ' GLN . 73.3 t -62.0 -49.55 83.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.811 0.339 . . . . 0.69 110.573 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 1.67 110.43 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -42.75 97.24 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 116.019 -0.537 . . . . 0.94 112.586 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.095 0.474 . . . . 1.19 110.523 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -72.82 -24.59 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 3.21 110.529 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.06 24.34 55.23 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.242 -0.743 . . . . 1.22 111.242 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.56 176.92 40.27 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.611 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.86 124.51 12.38 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.02 2.48 . . . . 1.64 112.32 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.67 109.15 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.127 -0.488 . . . . 2.51 110.218 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.67 152.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 1.34 111.277 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 97.28 7.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.98 109.925 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.89 128.89 38.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.898 -0.592 . . . . 1.31 111.24 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -115.69 172.57 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.508 . . . . 2.05 110.181 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.884 0.374 . . . . 0.7 111.922 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -100.95 18.2 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.633 -0.258 . . . . 2.28 111.481 -173.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 m -78.56 141.0 38.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.765 0.317 . . . . 1.17 111.069 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 98.5 mtt180 -91.68 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 3.15 109.927 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -62.84 -28.65 70.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.54 111.933 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -59.98 -45.68 91.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 1.63 110.712 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.3 -10.92 59.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.667 -0.697 . . . . 2.2 110.852 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 93.7 mt -88.02 -6.51 57.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.118 -0.492 . . . . 1.44 110.868 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.26 37.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.619 -0.801 . . . . 0.56 112.961 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 47' ' ' ASP . 2.7 mm? -96.89 127.55 42.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.059 -0.349 . . . . 1.09 110.059 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -93.14 -173.27 3.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.127 -0.323 . . . . 1.66 110.127 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -54.46 -51.29 65.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.053 0.39 . . . . 1.55 112.053 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.61 -39.71 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.528 0.204 . . . . 2.22 110.744 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HB3' HD12 ' A' ' 43' ' ' LEU . 17.3 m-20 -59.92 -42.5 94.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.11 110.447 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 52' ' ' ILE . 7.3 tt -58.34 -50.47 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 1.42 109.896 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.65 97.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.63 110.809 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.7 m -62.73 -39.78 95.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.6 110.621 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.88 -44.16 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.44 110.398 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 48' ' ' LEU . 46.2 mt -65.33 -43.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.516 . . . . 0.72 110.096 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -56.08 -41.74 75.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 1.21 110.563 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.4 m-20 -68.46 -38.09 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.44 110.926 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.19 -35.68 71.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 1.22 110.681 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.04 -34.9 74.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 1.81 110.35 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.56 60.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.65 111.267 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.9 t -76.65 -50.98 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.58 110.992 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -87.0 -37.2 17.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.96 0.356 . . . . 1.04 111.96 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 111.243 -0.743 . . . . 1.23 111.243 -174.09 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.799 0.333 . . . . 1.59 111.572 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -76.3 -26.42 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 1.94 110.334 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mm -83.59 93.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.934 -0.575 . . . . 0.67 110.02 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.09 -53.34 7.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.511 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.8 p -107.5 168.06 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 0.65 111.142 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.03 -39.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.977 0.418 . . . . 0.6 110.188 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.2 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.36 111.645 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.32 -41.85 89.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 2.04 110.866 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.56 -43.22 49.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.53 110.347 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.67 98.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.38 111.05 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 81' ' ' ARG . 39.8 ttp180 -56.51 -39.15 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 4.06 111.462 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.59 111.421 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -90.35 -12.16 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.33 -0.395 . . . . 0.9 111.256 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.57 -39.46 37.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.72 110.044 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 2.83 110.831 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 7' ' ' MET . 50.2 m-80 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.772 0.32 . . . . 2.67 110.432 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -79.6 -33.64 41.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 2.94 110.244 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -63.32 -53.19 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 2.67 110.732 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 12.0 p -65.78 -27.39 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 1.59 110.484 178.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 12.4 tpt -74.21 -34.19 63.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.75 110.46 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.74 -29.14 58.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.52 . . . . 1.36 109.705 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 41.3 tt0 -58.41 -56.87 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.499 -0.773 . . . . 2.62 110.411 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -31.19 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.19 -0.459 . . . . 1.39 110.626 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.3 . . . . 0.65 110.811 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.35 -36.93 81.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 0.55 109.982 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.515 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 61.2 tp60 -62.45 -55.15 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 1.37 110.793 177.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.3 m -67.8 -33.62 62.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.612 -0.267 . . . . 1.08 111.355 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.14 -46.99 87.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.922 0.392 . . . . 1.09 110.096 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -62.7 -39.2 93.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.769 -0.65 . . . . 2.01 110.199 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 21' ' ' VAL . 88.2 mm-40 -66.54 -44.73 81.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 14' ' ' VAL . 82.6 mt -62.49 -46.39 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.45 110.416 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.21 -32.84 73.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.51 110.84 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -68.05 -48.97 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 2.35 110.543 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.5 t -58.19 -47.59 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.69 110.799 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.26 -44.56 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.67 110.772 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -38.1 89.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.158 -0.544 . . . . 0.94 112.647 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.33 77.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.043 0.449 . . . . 1.19 110.715 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.83 -40.51 63.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.011 -0.54 . . . . 3.21 109.773 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 15.75 7.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.919 -0.658 . . . . 1.22 112.412 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.04 172.91 29.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.87 -0.681 . . . . 1.1 112.067 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.04 146.55 41.6 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.615 2.21 . . . . 1.64 111.74 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.46 107.97 9.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.1 0.476 . . . . 2.51 109.988 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -79.49 150.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.56 -0.745 . . . . 1.34 110.126 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.94 108.16 3.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.98 110.214 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.49 119.8 26.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.032 -0.531 . . . . 1.31 110.654 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 31.3 mt-10 -120.38 145.37 47.24 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.858 -0.793 . . . . 2.05 108.858 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -71.87 -24.0 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 0.7 111.694 -171.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -98.85 5.75 47.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.575 . . . . 2.28 110.153 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 34.3 t -83.94 160.95 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.012 -0.54 . . . . 1.17 110.181 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 37' ' ' ARG . 46.9 mtm180 -103.55 140.76 37.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.006 -0.543 . . . . 3.15 110.111 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 96.3 m-85 -61.53 -41.54 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.54 111.283 -176.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 21.0 t -69.66 -22.2 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.263 -0.426 . . . . 1.63 110.415 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.7 -33.99 34.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.103 0.478 . . . . 2.2 110.181 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.58 -18.66 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.664 -0.698 . . . . 1.44 111.07 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.98 3.8 17.33 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.631 -0.795 . . . . 0.56 112.661 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.0 mm? -87.04 115.2 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.31 -0.626 . . . . 1.09 109.31 176.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 t -76.49 -177.91 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.925 -0.398 . . . . 1.66 109.925 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -52.38 -51.23 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.393 -0.367 . . . . 1.55 111.551 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.66 -41.71 87.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 2.22 110.625 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 43' ' ' LEU . 67.7 m-20 -59.54 -41.28 89.71 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.978 -0.555 . . . . 1.11 110.509 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.8 tt -59.63 -49.08 79.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.762 -0.653 . . . . 1.42 109.881 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.63 111.239 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.2 m -65.8 -38.63 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.653 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . 66.0 tp -62.03 -40.0 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.44 110.282 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' LEU . 60.1 mt -58.94 -45.96 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.72 110.099 175.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 t -64.85 -22.79 67.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 1.21 111.009 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.2 m-20 -67.38 -47.01 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.189 -0.301 . . . . 1.44 110.189 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.14 -34.04 76.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.345 . . . . 1.22 110.249 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.04 -49.2 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.759 -0.655 . . . . 1.81 110.366 172.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.65 111.337 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.1 t -60.04 -56.84 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.58 111.417 -179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 83' ' ' TYR . 94.5 m-85 -80.39 -15.04 57.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 1.04 111.631 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 110.872 -0.891 . . . . 1.23 110.872 -176.264 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 111.976 0.361 . . . . 1.59 111.976 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -79.17 -15.38 58.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 1.94 111.1 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.04 89.67 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.142 0.496 . . . . 0.67 109.697 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.0 -60.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.88 110.794 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -111.27 170.62 7.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.227 -0.442 . . . . 0.65 111.522 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 t -61.36 -40.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.576 -0.284 . . . . 0.6 110.859 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.44 56.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.36 112.209 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.06 -53.82 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 2.04 110.387 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.7 tp -69.77 -33.43 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.681 -0.691 . . . . 0.53 110.751 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.4 -51.89 65.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.38 111.004 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -62.27 -32.74 73.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.854 0.359 . . . . 4.06 110.719 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.98 15.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.59 111.042 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 38.5 m-85 -79.58 -9.53 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.097 0.406 . . . . 0.9 112.097 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.56 61.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.72 110.236 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.958 -0.564 . . . . 2.83 111.246 179.134 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.008 0.432 . . . . 2.67 110.047 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -64.66 -42.5 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 2.94 111.156 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -61.04 -47.5 86.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 2.67 111.349 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.68 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 1.59 110.418 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.8 tpt -69.92 -43.57 71.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.75 110.187 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.89 -28.58 69.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.174 0.511 . . . . 1.36 110.214 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.12 -50.42 48.21 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.803 -0.635 . . . . 2.62 110.681 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.46 -35.96 64.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 1.39 110.696 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 80.7 t80 -61.74 -42.01 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.65 110.143 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.99 -42.5 90.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.55 110.558 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.87 -48.24 59.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 1.37 111.152 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -63.89 -37.49 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.718 -0.393 . . . . 1.08 110.737 -178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.53 -43.01 98.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.283 0.564 . . . . 1.09 109.606 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -57.45 -38.58 74.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.078 -0.964 . . . . 2.01 110.744 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.5 mm100 -72.34 -43.5 64.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.391 -0.368 . . . . 1.54 110.689 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 14' ' ' VAL . 88.6 mt -59.88 -44.29 93.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.353 -0.385 . . . . 0.45 110.561 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.51 111.204 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.29 -42.71 83.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 2.35 111.148 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.9 t -63.98 -48.32 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.69 110.685 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.71 -44.06 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 1.67 110.527 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.81 99.64 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.454 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -28.34 67.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 1.19 111.353 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -89.21 -12.71 40.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.297 . . . . 3.21 111.393 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.52 34.11 32.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.782 -0.723 . . . . 1.22 111.721 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 164.16 29.35 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.175 -0.536 . . . . 1.1 112.017 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.82 144.47 24.53 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.642 2.228 . . . . 1.64 112.508 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 109.5 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.422 -0.585 . . . . 2.51 109.422 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG21 ' HG ' ' A' ' 41' ' ' LEU . 27.6 m -110.29 165.06 6.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.789 -0.641 . . . . 1.34 111.1 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.62 89.21 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.102 -0.499 . . . . 0.98 110.261 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.92 114.27 21.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.924 -0.58 . . . . 1.31 111.326 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -105.34 173.68 6.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 2.05 110.036 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.8 tp -66.77 -36.39 77.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.838 0.351 . . . . 0.7 111.336 -176.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -91.26 11.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.691 0.281 . . . . 2.28 111.566 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -80.12 133.0 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.988 0.423 . . . . 1.17 111.229 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 68.3 mtm180 -79.96 136.15 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 3.15 109.687 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 63.2 m-85 -60.78 -27.09 67.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.54 111.371 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -59.82 -45.44 92.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 1.63 110.951 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 31.3 m-20 -67.28 -36.53 81.76 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.91 0.386 . . . . 2.2 111.075 -175.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 30' ' ' VAL . 10.7 mp -75.27 -21.3 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.44 111.737 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.02 31.94 3.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.401 -0.904 . . . . 0.56 112.64 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.0 mm? -113.79 123.56 50.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.763 -0.458 . . . . 1.09 109.763 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.4 p -99.8 -172.56 2.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.859 -0.423 . . . . 1.66 109.859 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -60.82 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 1.55 110.485 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.9 -38.89 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 2.22 110.583 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.547 ' HB3' HD12 ' A' ' 43' ' ' LEU . 15.6 m-20 -63.96 -44.59 92.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.11 109.887 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.3 -40.38 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.835 -0.62 . . . . 1.42 110.843 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.26 83.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.63 110.276 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -66.45 -42.76 87.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.298 -0.41 . . . . 0.6 110.563 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -58.22 -51.73 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.44 111.278 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -36.46 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.39 . . . . 0.72 110.791 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -62.04 -39.66 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.434 . . . . 1.21 110.471 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.9 m-20 -65.49 -41.15 93.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 1.44 110.519 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 1.22 110.397 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.08 -47.55 80.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.105 173.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -10.86 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.65 111.611 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ASN . 88.9 t -80.48 -55.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.494 -0.321 . . . . 0.58 110.652 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -92.86 -26.81 17.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 1.04 111.978 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.836 -0.697 . . . . 1.23 111.482 -175.009 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 121.22 0.533 . . . . 1.59 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -85.57 -9.71 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 1.94 110.223 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm -83.49 89.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.654 -0.498 . . . . 0.67 109.654 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -88.11 -59.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.625 . . . . 0.88 110.772 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 p -110.68 170.11 8.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.65 111.015 -177.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.6 109.67 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -51.3 -45.34 62.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.276 -0.875 . . . . 0.36 111.728 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -60.04 -44.72 94.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 2.04 111.091 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.7 tp -76.56 -43.82 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.53 111.02 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.28 80.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.38 111.107 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -64.57 -38.37 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 4.06 110.323 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.97 51.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.59 110.975 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -74.08 -10.58 59.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.792 0.293 . . . . 0.9 111.792 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.49 31.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.187 0.517 . . . . 0.72 110.213 174.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 2.83 110.779 178.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.174 0.512 . . . . 2.67 109.934 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -68.09 -33.77 75.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 2.94 110.481 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 58.1 tp60 -61.94 -57.36 12.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 2.67 110.834 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.43 -31.03 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 1.59 110.623 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.429 ' HA ' HG12 ' A' ' 10' ' ' VAL . 12.7 tpt -73.41 -36.91 66.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.75 110.765 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.68 -35.17 74.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.471 . . . . 1.36 109.753 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 15.7 mm100 -66.25 -48.97 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.714 . . . . 2.62 111.165 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 84' ' ' ALA . 10.3 p -68.16 -34.73 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 110.374 -0.232 . . . . 1.39 110.374 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HA ' HG22 ' A' ' 14' ' ' VAL . 93.5 t80 -60.54 -43.62 96.99 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.006 0.431 . . . . 0.65 110.015 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -38.69 76.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.701 . . . . 0.55 110.798 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.2 tp-100 -72.65 -50.8 22.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 1.37 110.87 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 11' ' ' PHE . 31.1 m -65.08 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.633 -0.258 . . . . 1.08 110.83 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.27 -46.07 83.45 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.111 0.481 . . . . 1.09 109.991 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 20.5 t-80 -61.82 -39.87 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 2.01 110.083 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 63.4 mm-40 -65.91 -47.16 75.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.54 110.307 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.6 mt -59.87 -44.85 95.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.142 -0.481 . . . . 0.45 110.516 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.07 80.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 0.51 111.122 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 56.3 mt-30 -68.14 -40.84 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 2.35 110.78 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.1 t -64.08 -50.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.69 110.604 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.53 -42.62 96.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.67 110.507 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.51 -44.28 96.86 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.597 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.52 75.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.743 0.275 . . . . 1.19 111.743 -177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -78.83 -19.02 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 3.21 111.001 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.04 48.25 3.39 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.745 -0.74 . . . . 1.22 111.962 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.08 160.23 14.23 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.676 -0.57 . . . . 1.1 111.676 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.8 138.07 33.74 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.544 2.163 . . . . 1.64 112.436 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.1 109.58 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.882 -0.599 . . . . 2.51 109.48 177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 m -103.2 171.99 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.034 -0.53 . . . . 1.34 111.348 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.11 92.77 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 0.98 110.87 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.32 130.98 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 1.31 110.985 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -118.78 177.77 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 2.05 110.399 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.1 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.891 0.377 . . . . 0.7 111.092 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -103.78 32.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 2.28 110.909 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.8 m -88.79 138.67 31.21 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.088 -0.382 . . . . 1.17 110.156 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 66.6 mtm180 -90.85 135.66 33.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.072 0.463 . . . . 3.15 109.785 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 88.7 m-85 -58.64 -42.35 88.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.54 111.463 -175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 37.7 m -61.33 -33.31 73.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.899 0.38 . . . . 1.63 110.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.07 -27.43 57.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 2.2 110.485 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 90.2 mt -76.78 -7.69 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 1.44 111.057 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.33 21.33 15.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.56 111.861 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' SER . 42.9 mt -107.36 125.97 51.88 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.072 -0.344 . . . . 1.09 110.072 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.7 p -97.65 -172.93 2.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.858 -0.423 . . . . 1.66 109.858 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -35.46 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.061 0.458 . . . . 1.55 109.863 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.5 mp -64.31 -44.74 90.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.766 -0.652 . . . . 2.22 110.037 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB3' HD22 ' A' ' 43' ' ' LEU . 9.3 m-20 -62.49 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.226 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.85 -43.34 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.42 110.777 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.632 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 m -71.34 -47.18 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.147 -0.479 . . . . 0.6 110.637 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.3 tp -58.35 -50.38 73.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.44 111.702 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.36 -43.11 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.549 -0.296 . . . . 0.72 110.812 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.2 m -68.24 -29.49 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.175 0.512 . . . . 1.21 110.776 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -71.49 -45.76 61.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 1.44 110.145 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -31.64 72.73 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 1.22 110.036 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -61.66 -32.15 72.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 1.81 110.714 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.96 -18.99 60.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.824 0.345 . . . . 0.65 110.712 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.52 -59.81 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.58 111.17 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -89.07 -50.13 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 1.04 111.477 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.845 -0.616 . . . . 1.23 113.239 177.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 112.024 0.379 . . . . 1.59 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.9 p -79.47 -25.83 41.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.078 0.466 . . . . 1.94 110.234 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.81 89.37 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.376 -0.601 . . . . 0.67 109.376 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.88 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.012 -0.54 . . . . 0.88 111.209 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -106.42 165.82 10.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.091 -0.504 . . . . 0.65 111.039 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 81.5 t -54.87 -39.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.053 0.454 . . . . 0.6 110.269 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 81' ' ' ARG . . . -54.95 -36.63 65.52 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.341 -0.845 . . . . 0.36 111.789 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -65.69 -45.32 83.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 2.04 111.261 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.37 -42.72 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.921 0.391 . . . . 0.53 110.664 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 -34.9 78.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.38 110.965 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 45.0 ttm180 -56.06 -42.45 76.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.82 -0.627 . . . . 4.06 111.265 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.55 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.59 111.059 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -77.55 -19.22 56.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.127 -0.488 . . . . 0.9 111.303 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -72.59 -25.31 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.72 110.836 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 29.8 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.794 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.892 0.377 . . . . 2.67 110.209 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -68.21 -37.69 81.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 2.94 110.168 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -57.1 -50.59 72.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.846 0.355 . . . . 2.67 110.413 178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.33 -43.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 1.59 110.879 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -42.31 78.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.75 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.07 -31.99 72.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.121 0.486 . . . . 1.36 110.071 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.15 -45.57 91.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.546 -0.752 . . . . 2.62 110.963 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.6 p -75.01 -42.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.641 -0.254 . . . . 1.39 110.625 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.25 -43.49 87.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.54 -0.3 . . . . 0.65 111.28 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.14 -42.67 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.55 111.168 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.1 tp60 -68.1 -40.72 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 1.37 110.183 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 10' ' ' VAL . 60.9 t -59.41 -51.81 68.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 1.08 110.48 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.22 -38.75 84.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.02 -0.536 . . . . 1.09 110.478 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -58.75 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 2.01 110.378 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.544 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.2 mm100 -69.9 -43.04 72.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 1.54 110.438 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 74.1 mt -58.8 -44.09 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.916 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.42 90.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.51 110.886 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.35 -41.18 96.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 2.35 110.153 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 17' ' ' GLN . 61.7 t -62.95 -48.19 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.69 110.624 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 95.0 mt -57.36 -45.64 84.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.964 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.92 78.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.109 -0.567 . . . . 0.94 112.748 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.85 -40.26 22.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.329 . . . . 1.19 110.767 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.76 -38.85 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 3.21 110.952 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 12.15 65.0 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.577 -0.738 . . . . 1.22 111.35 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.85 -179.28 52.9 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.28 -0.486 . . . . 1.1 112.515 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.04 141.3 63.45 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.942 2.428 . . . . 1.64 112.073 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.288 -0.634 . . . . 2.51 109.288 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.03 152.58 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.759 -0.655 . . . . 1.34 111.213 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.05 103.32 15.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.98 109.918 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -77.51 130.04 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 1.31 110.438 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.13 175.28 6.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.496 -0.557 . . . . 2.05 109.496 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.5 tp -79.99 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.459 -0.571 . . . . 0.7 109.459 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -98.53 -0.31 43.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 2.28 111.665 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.1 p -73.72 144.64 45.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 1.17 110.744 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -89.69 144.49 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 3.15 109.812 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.08 -38.64 88.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.772 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -66.94 -27.88 67.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 1.63 110.156 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.2 -37.67 66.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 2.2 109.698 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.06 -20.63 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.605 -0.725 . . . . 1.44 110.968 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 21.04 8.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.792 -0.718 . . . . 0.56 113.029 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' OD2' ' A' ' 47' ' ' ASP . 3.0 mm? -108.92 106.96 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 1.09 110.123 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -80.21 173.26 12.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.156 -0.475 . . . . 1.66 110.487 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -52.14 -47.17 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.506 0.558 . . . . 1.55 112.506 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.44 -43.49 98.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 2.22 111.042 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 43' ' ' LEU . 6.3 t70 -77.98 -30.51 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.747 -0.381 . . . . 1.11 110.097 -177.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.1 tt -62.89 -46.43 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.202 -0.666 . . . . 1.42 109.202 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.98 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.98 -0.555 . . . . 0.63 110.439 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.5 m -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.586 -0.734 . . . . 0.6 110.409 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.72 -48.65 80.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.3 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 59.5 mt -58.69 -46.05 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.72 110.68 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.3 t -61.8 -41.88 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.21 111.349 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.1 m-20 -71.26 -41.03 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.488 -0.324 . . . . 1.44 111.087 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.73 -35.85 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.357 0.599 . . . . 1.22 110.133 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.83 -42.31 84.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.336 -0.847 . . . . 1.81 110.245 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.44 -12.71 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.834 -0.621 . . . . 0.65 111.484 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.3 t -76.35 -43.49 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.803 0.335 . . . . 0.58 110.133 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -90.83 -34.28 15.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 1.04 111.685 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 111.39 -0.684 . . . . 1.23 111.39 -176.603 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 112.145 0.424 . . . . 1.59 112.145 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -84.98 -8.84 58.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.39 . . . . 1.94 110.911 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mm -97.65 99.19 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.67 110.21 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.93 -52.22 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.303 0.573 . . . . 0.88 110.465 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -100.47 153.29 19.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.691 -0.686 . . . . 0.65 110.953 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.26 -33.31 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.6 110.778 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -56.33 -37.3 69.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.814 -0.63 . . . . 0.36 111.737 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 8.6 t70 -72.34 -45.39 60.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 2.04 110.367 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.51 -47.46 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.53 110.699 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.43 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.959 -0.564 . . . . 0.38 110.236 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 31.7 ttp85 -57.51 -51.11 70.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.56 . . . . 4.06 110.94 175.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.65 78.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.614 -0.721 . . . . 0.59 111.447 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -79.19 -29.26 42.82 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.663 0.246 . . . . 0.9 111.663 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.79 75.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.72 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 20.1 pt20 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 2.83 111.105 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.988 0.423 . . . . 2.67 110.182 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -64.58 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.448 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.84 -51.45 64.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.707 -0.224 . . . . 2.67 111.298 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.09 -34.63 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.279 . . . . 1.59 110.689 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -74.78 -30.09 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.149 0.499 . . . . 0.75 110.297 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.2 -44.56 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.085 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -60.39 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 2.62 111.026 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.87 -36.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.577 -0.283 . . . . 1.39 110.773 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.428 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.0 t80 -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.633 -0.258 . . . . 0.65 110.82 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.08 -34.73 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.502 . . . . 0.55 110.486 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.17 -54.42 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.807 -0.633 . . . . 1.37 110.504 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 11' ' ' PHE . 22.9 m -60.53 -32.77 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 1.08 110.702 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.56 -43.32 89.34 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.226 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 22.6 t60 -59.97 -50.27 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 2.01 110.142 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 mp0 -57.96 -46.53 84.98 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.17 0.294 . . . . 1.54 111.015 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.64 -45.84 93.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.833 0.349 . . . . 0.45 110.821 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.26 -33.45 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.51 111.011 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 30.8 mm-40 -67.51 -45.04 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 2.35 110.418 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.4 t -60.4 -53.01 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.69 111.116 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.76 -39.98 95.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.961 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.34 74.07 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.967 -0.635 . . . . 0.94 112.474 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.44 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 1.19 110.919 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -78.76 -24.29 44.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 3.21 110.489 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.89 21.4 33.62 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.665 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.41 173.98 23.49 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.795 -0.717 . . . . 1.1 112.143 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.12 154.37 41.91 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.665 2.244 . . . . 1.64 112.086 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.33 109.76 20.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.233 -0.44 . . . . 2.51 110.053 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.06 148.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 102.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.98 111.292 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.23 111.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 1.31 110.149 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.98 148.06 50.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 2.05 109.86 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -67.22 -25.31 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 0.7 111.577 -173.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -91.36 -10.22 41.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.269 0.557 . . . . 2.28 110.422 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -69.07 140.85 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.51 . . . . 1.17 110.544 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 74' ' ' VAL . 10.2 mpt_? -83.37 145.92 28.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.658 -0.701 . . . . 3.15 109.669 177.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -56.71 -52.27 65.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.976 0.362 . . . . 0.54 111.976 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 p -61.37 -40.53 94.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.856 0.36 . . . . 1.63 111.173 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.26 -31.04 71.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 2.2 110.466 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.65 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.44 111.191 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.12 -4.73 23.78 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.459 -0.876 . . . . 0.56 112.952 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -98.2 107.14 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.09 110.615 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 t -78.68 -176.22 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.485 -0.561 . . . . 1.66 109.485 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 m -57.85 -43.78 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.85 0.357 . . . . 1.55 110.974 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.81 -37.46 86.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.151 0.5 . . . . 2.22 110.748 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.83 -39.14 69.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 1.11 110.26 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 52' ' ' ILE . 3.7 tt -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.679 -0.692 . . . . 1.42 109.535 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.66 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.63 110.919 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -66.23 -35.72 81.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.107 0.48 . . . . 0.6 110.623 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.48 -38.66 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.44 110.175 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.9 mm -55.97 -52.76 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.72 110.583 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 m -60.71 -34.8 74.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.216 -0.447 . . . . 1.21 111.454 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -72.92 -44.86 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.44 111.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.76 -31.34 68.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 1.22 110.351 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.14 -35.9 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.511 -0.768 . . . . 1.81 110.517 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.0 -17.97 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.65 111.559 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.5 t -83.48 -45.94 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.043 0.449 . . . . 0.58 110.87 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -89.18 -36.45 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.271 -0.422 . . . . 1.04 111.556 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.069 -0.813 . . . . 1.23 111.069 -175.015 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.89 0.376 . . . . 1.59 111.362 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -90.74 -2.88 57.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 1.94 110.913 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mm -79.73 89.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.706 -0.85 . . . . 0.67 108.706 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 37' ' ' ARG . 48.1 t -103.09 -57.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.502 -0.772 . . . . 0.88 111.012 -173.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 76.6 p -102.02 162.38 12.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.63 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.78 -37.85 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.6 110.127 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.12 66.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.46 -0.791 . . . . 0.36 112.105 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -63.97 -43.85 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 2.04 110.981 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.2 tp -80.18 -44.2 20.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.495 . . . . 0.53 110.718 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.02 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.38 111.162 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -60.11 -36.51 77.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 4.06 111.037 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.19 83.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.59 110.624 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -78.42 -20.19 51.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.9 111.263 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.73 -22.11 64.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.239 0.543 . . . . 0.72 110.029 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.65 -0.704 . . . . 2.83 110.85 178.284 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.081 0.467 . . . . 2.67 109.987 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -66.55 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 2.94 110.582 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.44 -49.75 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 2.67 110.434 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.21 -40.51 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 1.59 110.507 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.5 tpp -62.75 -46.07 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.75 111.036 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.17 -36.02 82.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.169 0.509 . . . . 1.36 110.165 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -66.11 -52.39 49.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.4 -0.818 . . . . 2.62 111.065 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 p -65.0 -38.12 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.29 . . . . 1.39 110.459 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.24 -40.71 86.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.184 -0.462 . . . . 0.65 110.897 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.55 110.559 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 5.8 tp-100 -68.09 -43.09 79.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 1.37 110.457 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 10' ' ' VAL . 98.5 t -58.26 -46.83 88.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.435 -0.348 . . . . 1.08 110.764 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -57.48 -45.31 85.0 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.96 0.41 . . . . 1.09 109.994 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.48 -37.42 83.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.704 . . . . 2.01 110.679 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 31.2 mm-40 -70.43 -39.85 74.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.583 -0.28 . . . . 1.54 110.536 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 72.4 mt -65.71 -45.15 92.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.45 110.302 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.46 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.51 110.639 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.45 -49.79 74.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.35 110.295 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 17' ' ' GLN . 92.0 t -59.41 -47.68 89.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.253 -0.43 . . . . 0.69 110.94 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.5 -42.8 98.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.667 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -35.85 86.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.95 -0.643 . . . . 0.94 112.208 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.2 65.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.651 0.262 . . . . 1.19 111.417 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -91.85 -15.23 28.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.0 0.429 . . . . 3.21 110.661 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.83 30.27 18.42 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.861 -0.608 . . . . 1.22 112.586 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.17 157.63 14.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.774 -0.727 . . . . 1.1 112.12 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.34 143.12 75.54 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 1.64 111.865 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.73 138.73 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.132 0.491 . . . . 2.51 110.715 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.94 167.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 1.34 110.577 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.85 98.87 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.13 -0.487 . . . . 0.98 110.364 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.98 118.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.113 -0.494 . . . . 1.31 110.216 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.77 172.75 6.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.559 -0.534 . . . . 2.05 109.559 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 tp -83.08 -31.21 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.7 110.331 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.0 6.25 43.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.341 -0.39 . . . . 2.28 111.683 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -84.35 148.85 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.754 0.312 . . . . 1.17 110.844 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 69.8 mtt180 -85.27 141.79 29.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.206 -0.665 . . . . 3.15 109.206 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 70.1 m-85 -61.61 -30.18 70.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.913 -0.403 . . . . 0.54 109.913 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -61.28 -51.53 68.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.712 . . . . 1.63 111.33 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.81 -20.23 53.59 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.887 -0.325 . . . . 2.2 110.974 -175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 91.2 mt -71.46 -20.35 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 1.44 110.152 173.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 4.09 28.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.92 -0.657 . . . . 0.56 113.299 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.2 mm? -83.49 112.59 20.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.89 0.345 . . . . 1.09 110.124 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -83.81 -173.1 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.367 -0.379 . . . . 1.66 110.602 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.3 m -55.65 -50.66 69.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.767 0.318 . . . . 1.55 111.785 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.7 tp -66.56 -43.28 85.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 2.22 110.55 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 43' ' ' LEU . 11.4 m-20 -60.95 -44.42 97.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 1.11 110.752 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' O ' HG12 ' A' ' 52' ' ' ILE . 8.2 tt -61.71 -45.13 95.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 1.42 109.819 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.94 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.63 110.735 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -59.91 -42.32 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.6 109.923 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.5 -44.32 97.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.566 -0.743 . . . . 0.44 110.7 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 48' ' ' LEU . 44.9 mm -57.31 -46.19 85.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.067 0.46 . . . . 0.72 110.221 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -63.11 -37.73 88.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.343 -0.844 . . . . 1.21 110.834 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 97.3 m-20 -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.539 -0.3 . . . . 1.44 110.896 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.0 mm? -65.46 -29.5 70.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.74 0.305 . . . . 1.22 110.818 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.15 -38.85 86.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 1.81 110.048 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.59 71.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.431 . . . . 0.65 110.675 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 13' ' ' GLN . 88.1 t -76.43 -64.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.58 111.414 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -103.42 -50.8 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 1.04 111.617 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.866 -0.683 . . . . 1.23 112.37 -179.724 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 112.162 0.431 . . . . 1.59 112.162 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 p -77.23 -18.97 57.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.325 0.583 . . . . 1.94 109.929 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.38 89.59 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.842 -0.617 . . . . 0.67 109.972 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.78 -53.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.325 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 40.7 p -105.08 167.62 9.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.65 110.885 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 86.3 t -59.58 -39.82 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.753 0.311 . . . . 0.6 110.547 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.615 . . . . 0.36 111.774 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.13 -43.46 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 2.04 110.762 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 tp -73.21 -39.94 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.53 110.293 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.54 93.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.38 111.049 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 48.1 mtm105 -56.16 -39.07 71.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.569 -0.287 . . . . 4.06 111.406 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.11 -60.02 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.59 111.233 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.3 -9.36 59.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.384 . . . . 0.9 111.824 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -77.69 -51.19 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.828 -0.434 . . . . 0.72 109.828 172.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 2.83 110.771 -178.094 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.251 0.548 . . . . 2.67 109.576 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -65.43 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.675 -0.693 . . . . 2.94 109.69 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 47.2 tt0 -66.6 -45.28 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 2.67 110.541 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.09 -48.05 85.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.232 0.539 . . . . 1.59 110.34 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.59 -31.49 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.75 110.365 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.87 -39.29 93.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.36 110.335 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 18.2 mm100 -63.24 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 2.62 111.248 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.6 -33.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.86 -0.336 . . . . 1.39 110.576 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 14' ' ' VAL . 64.4 t80 -65.19 -39.54 93.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.98 0.419 . . . . 0.65 110.254 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.9 -38.02 89.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.55 110.495 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.47 -44.02 58.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 1.37 111.153 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 11' ' ' PHE . 26.9 m -64.78 -38.93 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.499 -0.48 . . . . 1.08 110.106 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.41 -48.04 83.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.177 0.513 . . . . 1.09 109.922 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.3 t-80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.132 -0.94 . . . . 2.01 111.016 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.31 -40.61 90.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 1.54 111.028 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.58 -47.43 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.74 0.305 . . . . 0.45 110.319 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.74 76.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.002 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.0 mm-40 -63.2 -47.84 80.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 2.35 110.601 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.54 -46.34 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.69 110.898 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.41 -38.14 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.39 -0.368 . . . . 1.67 111.043 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.44 -44.56 95.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.004 -0.617 . . . . 0.94 112.106 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.77 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 1.19 110.853 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.1 -29.64 49.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 3.21 110.328 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.55 11.55 68.49 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.427 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.97 162.66 32.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.012 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.98 123.51 13.37 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.891 2.394 . . . . 1.64 112.751 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.58 110.2 6.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.966 -0.561 . . . . 2.51 109.854 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.85 154.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 1.34 110.807 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 122.21 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.98 110.285 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.17 132.26 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 1.31 111.119 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -109.74 139.06 45.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.484 -0.78 . . . . 2.05 109.877 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 tp -74.99 -25.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.768 -0.651 . . . . 0.7 111.035 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.82 -32.04 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 2.28 111.178 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -65.41 160.74 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.579 0.705 . . . . 1.17 111.58 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 54.1 mtm180 -88.52 161.23 17.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.251 -0.886 . . . . 3.15 109.246 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 74.9 m-85 -60.19 -35.76 76.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.968 0.413 . . . . 0.54 110.715 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -62.28 -25.27 67.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.63 111.532 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -73.53 -29.64 62.58 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.561 0.219 . . . . 2.2 111.157 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.62 -10.64 53.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 1.44 110.499 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.45 3.94 23.76 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.623 -0.799 . . . . 0.56 113.224 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.41 124.1 29.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.898 0.349 . . . . 1.09 110.336 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -85.84 177.45 7.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.797 -0.446 . . . . 1.66 109.797 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -57.76 -39.69 78.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 1.55 110.683 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.63 -44.15 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.756 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.29 -42.72 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.904 -0.406 . . . . 1.11 109.904 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -57.65 -47.48 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.366 -0.834 . . . . 1.42 110.467 -178.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.39 -51.08 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.63 111.21 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -68.11 -33.47 74.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.6 110.765 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.0 -44.71 91.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.44 110.318 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.7 mt -63.03 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.72 110.499 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.8 m -58.3 -35.62 72.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.21 111.061 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.47 -45.17 76.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 1.44 110.77 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.15 -35.97 78.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.05 -0.523 . . . . 1.22 110.483 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.33 -42.49 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 1.81 110.537 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.4 -22.97 65.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.41 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.09 -62.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.58 110.942 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -86.2 -34.31 20.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 1.04 111.67 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 CA-C-N 115.965 -0.561 . . . . 1.23 112.888 179.404 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.938 0.399 . . . . 1.59 111.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.3 m -71.9 -30.5 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 1.94 111.108 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -85.07 89.53 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.168 0.509 . . . . 0.67 110.643 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 -50.47 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.274 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 14.9 p -89.07 152.31 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.65 110.972 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 80.9 t -61.24 -35.97 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.6 110.163 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.401 -0.818 . . . . 0.36 112.127 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.7 -50.6 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 2.04 110.907 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.85 -39.37 87.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.143 -0.48 . . . . 0.53 110.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.52 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.38 110.787 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -67.37 -29.77 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 4.06 111.032 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.98 81.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.041 0.448 . . . . 0.59 111.217 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -82.09 -20.68 37.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 0.9 111.404 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.37 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.483 . . . . 0.72 110.244 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.633 . . . . 2.83 110.164 177.343 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 121.141 0.496 . . . . 2.67 110.417 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -71.4 -40.93 70.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 2.94 110.325 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 96.8 mt-30 -59.78 -48.03 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 2.67 111.349 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 10' ' ' VAL . 14.6 p -68.55 -37.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.712 -0.222 . . . . 1.59 111.174 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 tpt -66.45 -37.76 85.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.75 109.809 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.58 -38.96 89.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 1.36 110.361 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 25.7 mt-30 -63.47 -41.46 98.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 2.62 110.898 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 6' ' ' VAL . 48.8 t -65.56 -41.87 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 1.39 110.212 177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.66 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.476 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.04 -42.12 76.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.55 110.8 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.5 tp-100 -61.36 -56.66 17.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.791 -0.641 . . . . 1.37 110.762 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.6 m -64.39 -35.84 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 1.08 111.264 -177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.86 -49.96 69.85 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.15 0.5 . . . . 1.09 110.643 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 69.4 t60 -62.77 -40.72 98.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.411 -0.813 . . . . 2.01 110.674 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -66.12 -41.3 90.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.321 . . . . 1.54 110.431 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 92.3 mt -60.81 -44.2 97.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.861 0.362 . . . . 0.45 110.433 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.64 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.176 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -70.29 -38.57 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 2.35 110.574 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.3 t -67.83 -48.1 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.69 110.53 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.83 -42.99 85.48 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.418 -0.355 . . . . 1.67 110.637 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.48 92.4 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.94 112.209 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.74 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.19 111.237 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -71.81 -32.03 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 3.21 110.972 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 15.49 71.02 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.346 -0.702 . . . . 1.22 111.346 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.58 179.29 49.06 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.13 -0.557 . . . . 1.1 112.578 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.14 119.82 7.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.998 2.466 . . . . 1.64 112.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.81 109.1 8.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 2.51 109.935 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.29 148.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.937 -0.574 . . . . 1.34 110.472 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 129.72 34.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.98 110.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.51 138.23 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 1.31 111.35 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.67 178.76 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.266 -0.642 . . . . 2.05 109.266 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -74.39 -33.93 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.394 -0.523 . . . . 0.7 111.148 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.38 -0.96 57.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.227 0.537 . . . . 2.28 111.028 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -62.67 135.05 57.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.486 . . . . 1.17 111.456 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -92.28 133.89 35.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.875 -0.787 . . . . 3.15 108.875 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -62.11 -28.01 69.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.54 112.557 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -63.84 -44.98 91.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.775 0.321 . . . . 1.63 110.431 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.76 -31.17 64.71 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.206 0.527 . . . . 2.2 110.158 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 tp -70.26 -19.08 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.533 -0.758 . . . . 1.44 110.801 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.84 18.48 27.29 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.79 -0.719 . . . . 0.56 112.686 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.26 110.23 22.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.022 -0.362 . . . . 1.09 110.022 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -76.07 174.48 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.201 -0.454 . . . . 1.66 109.935 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -59.96 -36.87 78.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 1.55 110.33 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.3 mp -67.91 -38.07 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.22 110.148 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.41 -37.58 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 1.11 109.988 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 52' ' ' ILE . 50.6 mt -60.8 -44.38 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 1.42 110.706 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.21 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.63 110.591 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.9 m -66.49 -44.05 83.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.6 111.081 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.82 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.424 . . . . 0.44 111.014 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 48' ' ' LEU . 70.3 mt -65.3 -33.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.721 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -63.2 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 1.21 110.318 175.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.39 -21.37 62.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 1.44 110.923 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.18 -28.14 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.409 0.623 . . . . 1.22 109.797 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.89 -43.63 86.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.191 -0.913 . . . . 1.81 110.327 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.47 -8.76 43.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.65 111.948 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -87.82 -49.14 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.58 110.738 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -95.14 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.064 0.394 . . . . 1.04 112.064 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 111.357 -0.697 . . . . 1.23 111.357 -173.071 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.037 0.446 . . . . 1.59 111.255 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -76.4 -14.66 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 1.94 110.039 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.72 89.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.82 -0.627 . . . . 0.67 109.574 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.96 -58.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.88 110.449 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -102.17 162.48 12.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.65 110.572 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.01 -35.56 66.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.18 0.514 . . . . 0.6 109.868 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.34 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.451 -0.795 . . . . 0.36 111.426 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.6 -48.24 70.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.898 0.38 . . . . 2.04 110.55 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.68 -45.95 91.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.612 -0.722 . . . . 0.53 110.205 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.17 -53.91 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.579 -0.737 . . . . 0.38 111.236 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -59.35 -42.19 90.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.315 . . . . 4.06 111.546 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.78 94.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.59 111.728 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -90.73 -9.98 44.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.839 0.311 . . . . 0.9 111.839 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.47 28.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.265 0.555 . . . . 0.72 109.931 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 2.83 110.048 176.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.448 -0.661 . . . . 5.43 111.448 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -79.0 150.99 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.491 . . . . 4.76 111.356 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -120.71 162.67 33.47 Favored Pre-proline 0 N--CA 1.447 -0.622 0 CA-C-N 115.712 -0.676 . . . . 3.49 109.505 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.9 -41.19 48.18 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 121.987 1.791 . . . . 2.79 111.799 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -66.21 -41.68 89.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.586 -0.734 . . . . 4.74 111.702 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.3 p -83.19 -18.1 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 2.63 111.199 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.44 -31.95 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 2.49 110.199 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.26 -32.15 72.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 2.67 110.404 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -77.65 -38.22 48.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 2.94 110.062 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -60.86 -47.35 86.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 2.67 111.269 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -68.49 -34.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.558 -0.292 . . . . 1.59 110.808 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.8 tpt -67.34 -42.73 83.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.412 0.625 . . . . 0.75 109.729 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.65 -34.7 78.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.645 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.54 -50.71 71.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.554 -0.748 . . . . 2.62 110.963 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.0 m -69.98 -31.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.659 -0.246 . . . . 1.39 110.783 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.59 -49.88 76.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.441 -0.345 . . . . 0.65 110.775 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.5 -39.94 77.6 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.117 -0.492 . . . . 0.55 110.935 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 49.7 tp60 -64.09 -50.34 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.982 -0.554 . . . . 1.37 110.204 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' VAL . 95.1 t -59.53 -44.31 92.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.109 -0.496 . . . . 1.08 111.035 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.69 -45.68 73.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.874 0.369 . . . . 1.09 110.865 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -65.4 -35.59 81.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.085 -0.507 . . . . 2.01 110.76 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 83.8 mm-40 -72.97 -36.57 67.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.387 -0.37 . . . . 1.54 110.546 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.1 mt -62.93 -45.68 98.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.45 110.315 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.19 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.51 110.632 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.41 -48.58 79.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 2.35 110.856 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.6 t -59.83 -57.61 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.69 111.154 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mp -62.11 -37.89 86.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 1.67 110.743 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -39.9 97.74 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.124 -0.56 . . . . 0.94 112.467 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.65 75.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 1.19 111.085 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 21' ' ' VAL . 48.9 mtpt -74.55 -19.8 60.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 3.21 111.102 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.94 18.87 32.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 1.22 112.656 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -100.83 149.61 18.54 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.778 -0.725 . . . . 1.1 112.064 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.85 137.41 78.64 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.106 2.537 . . . . 1.64 112.224 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.89 115.92 20.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 2.51 111.144 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.15 149.29 4.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.698 -0.683 . . . . 1.34 109.908 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.54 122.46 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.882 0.372 . . . . 0.98 110.63 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.25 104.09 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 1.31 111.155 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 44.2 mm-40 -95.31 143.61 26.55 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 2.05 109.291 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tp -65.73 -28.4 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.574 . . . . 0.7 111.974 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -98.34 8.96 44.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.815 0.34 . . . . 2.28 110.765 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 42.5 t -84.77 150.17 25.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 1.17 110.955 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -84.6 141.25 30.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.346 -0.843 . . . . 3.15 109.376 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 48.1 m-85 -60.19 -37.89 81.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.782 0.325 . . . . 0.54 110.781 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 30.7 t -66.52 -26.9 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 1.63 110.59 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -80.12 -33.42 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 2.2 110.088 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.78 -15.56 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 1.44 111.143 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -0.13 19.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.442 -0.885 . . . . 0.56 112.896 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.2 mm? -83.02 124.13 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.848 -0.427 . . . . 1.09 109.848 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -89.33 -176.78 5.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.684 -0.488 . . . . 1.66 109.684 175.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -55.94 -47.89 76.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 1.55 111.25 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.99 -37.63 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 2.22 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -68.49 -37.25 79.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.438 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.14 -46.53 90.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 1.42 109.767 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.85 95.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.612 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.0 m -62.67 -45.14 94.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.6 110.565 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.8 tp -57.09 -43.64 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.44 110.9 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.65 -47.56 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.72 110.503 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -62.65 -36.12 81.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.97 -0.559 . . . . 1.21 111.158 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -65.67 -31.7 72.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 1.44 110.849 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.2 tp -81.69 -39.11 24.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.241 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -55.82 -45.1 78.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 1.81 109.972 176.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.92 -13.27 59.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.65 111.887 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 54' ' ' ASN . 90.2 t -82.9 -57.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.405 . . . . 0.58 110.7 178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -85.53 -28.01 25.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.04 111.744 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.52 8.67 82.79 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.807 -0.711 . . . . 1.23 111.357 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -121.15 158.32 28.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.45 -0.375 . . . . 1.83 110.161 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -166.78 96.9 0.69 Allowed Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.979 -0.378 . . . . 4.01 109.979 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 7.6 Cg_exo -72.78 120.66 6.8 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.762 2.308 . . . . 3.94 112.672 -177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 31.0 m-85 -100.93 4.2 42.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.248 -0.433 . . . . 4.03 110.459 174.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 91' ' ' PRO . . . -65.47 -68.7 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.146 -0.479 . . . . 4.87 110.879 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.84 -32.85 21.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.169 -0.469 . . . . 5.89 110.633 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 63' ' ' PRO . . . -86.76 28.34 0.89 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.119 0.485 . . . . 2.63 110.859 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 10.5 p -68.8 -25.66 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 3.37 110.503 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -104.46 109.85 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 1.8 110.199 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.87 -23.68 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.152 0.501 . . . . 1.51 110.668 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -73.72 -13.6 61.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.054 -0.521 . . . . 1.59 111.412 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.9 m -85.5 -6.06 59.22 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.035 0.445 . . . . 1.94 110.478 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.65 89.1 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.67 109.32 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.69 -57.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.031 -0.531 . . . . 0.88 111.003 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.5 p -97.49 164.71 12.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 0.65 110.815 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 65.3 t -56.27 -42.19 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.961 0.41 . . . . 0.6 110.287 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -32.17 66.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.553 -0.749 . . . . 0.36 111.93 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -67.26 -45.05 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 2.04 111.171 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.41 -42.7 61.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.912 0.387 . . . . 0.53 110.235 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.96 95.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.824 -0.625 . . . . 0.38 110.818 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 81' ' ' ARG . 43.9 ttp180 -54.56 -43.37 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 4.06 111.409 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.96 97.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.885 -0.598 . . . . 0.59 111.547 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -87.0 -13.83 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.517 -0.311 . . . . 0.9 111.387 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.94 -27.95 62.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.06 0.457 . . . . 0.72 110.488 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -87.18 30.84 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 2.83 110.979 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.79 138.4 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.501 . . . . 3.59 110.314 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.58 -10.55 23.72 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.581 -0.819 . . . . 2.96 112.775 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.9 m -112.96 127.56 26.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.806 0.336 . . . . 3.59 111.056 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 88' ' ' VAL . 23.5 Cg_exo -64.3 114.62 2.75 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.675 2.25 . . . . 5.2 112.037 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 -95.4 2.33 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.637 -0.585 . . . . 6.5 111.637 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 65' ' ' ALA . 60.8 Cg_endo -72.44 164.39 35.76 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.753 2.302 . . . . 8.43 111.547 176.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 t -79.93 119.7 77.52 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.797 -0.446 . . . . 9.92 109.797 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -59.12 -30.97 94.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.809 2.339 . . . . 11.69 112.177 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.509 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 26.6 t70 -119.49 121.37 30.08 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.386 . . . . 12.71 110.083 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.54 -15.13 17.63 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.751 2.301 . . . . 13.87 113.001 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.07 -43.17 22.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.658 -0.246 . . . . 16.37 110.65 -176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 0.7 OUTLIER -73.41 -28.31 61.93 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.573 -0.528 . . . . 13.44 109.573 177.078 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.51 75.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.308 0.575 . . . . 14.0 109.843 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -68.8 -36.17 77.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.464 -0.789 . . . . 17.04 110.302 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.49 -30.98 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 17.18 110.674 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.06 -33.63 70.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 16.96 110.502 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.82 -41.45 17.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.215 0.531 . . . . 18.98 110.589 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 tp -80.13 88.01 5.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.642 -0.708 . . . . 19.25 110.59 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -96.07 10.2 38.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.79 -0.641 . . . . 20.5 110.449 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -119.22 171.19 8.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.982 -0.554 . . . . 22.61 110.042 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 22.66 109.794 179.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.055 -0.418 . . . . 5.43 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 61.2 mt 66.89 92.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.389 0.614 . . . . 4.76 111.131 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.46 123.87 62.64 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.564 -0.744 . . . . 3.49 110.173 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.66 -28.44 81.59 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.737 2.291 . . . . 2.79 111.834 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -64.84 -33.95 77.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.01 -0.541 . . . . 4.74 110.88 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.1 m -59.91 -48.95 79.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 110.025 -0.361 . . . . 2.63 110.025 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.52 -40.6 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 2.49 110.269 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.35 -50.3 74.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.942 -0.572 . . . . 2.67 110.488 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -60.68 -42.15 96.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 2.94 110.635 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.95 -53.4 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.67 111.537 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.35 -31.04 49.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.65 0.262 . . . . 1.59 111.164 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 13.1 tpt -77.29 -37.42 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.75 110.735 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -72.5 -29.96 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.829 -0.434 . . . . 1.36 109.829 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -63.07 -51.03 68.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.62 110.571 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.2 p -67.34 -31.57 53.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 110.157 -0.312 . . . . 1.39 110.157 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 71.9 t80 -65.56 -45.02 84.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.374 -0.375 . . . . 0.65 110.615 177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.98 -38.77 79.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.108 0.48 . . . . 0.55 110.327 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 8.0 tp-100 -67.1 -49.6 64.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.601 -0.727 . . . . 1.37 111.025 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 18' ' ' ILE . 18.0 m -65.51 -36.14 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 120.827 -0.349 . . . . 1.08 110.426 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.01 -44.59 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.252 0.548 . . . . 1.09 109.826 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 14.6 t60 -65.54 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.622 -0.717 . . . . 2.01 110.193 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 32.7 mm-40 -66.98 -49.93 63.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 1.54 110.31 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 82.8 mt -56.9 -44.62 82.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.112 -0.495 . . . . 0.45 110.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.64 70.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.996 -0.547 . . . . 0.51 111.77 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 47.0 mt-30 -74.36 -33.63 63.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.949 0.404 . . . . 2.35 110.722 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.1 t -70.99 -38.52 72.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.45 . . . . 0.69 110.24 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 85.5 mt -60.35 -39.3 86.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 1.67 110.144 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.08 93.14 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.699 -0.682 . . . . 0.94 111.934 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.42 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 1.19 110.688 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -73.16 -19.03 61.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 3.21 110.342 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.52 28.4 32.88 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.583 -0.735 . . . . 1.22 112.484 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.03 179.84 16.24 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.638 -0.791 . . . . 1.1 112.795 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.53 168.14 25.5 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.457 2.771 . . . . 1.64 112.366 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.5 mt -88.06 108.96 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.977 -0.556 . . . . 2.51 110.218 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.4 164.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.878 -0.601 . . . . 1.34 111.355 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.33 97.9 11.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.956 -0.566 . . . . 0.98 110.44 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.95 130.99 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.895 -0.593 . . . . 1.31 110.721 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.65 168.12 11.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.853 -0.612 . . . . 2.05 109.47 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.1 tp -67.1 -11.66 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.176 -0.466 . . . . 0.7 112.043 -173.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -112.39 7.13 19.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.067 -0.396 . . . . 2.28 111.379 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -74.03 128.58 35.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 1.17 111.058 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -81.66 138.88 35.23 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.037 -0.727 . . . . 3.15 109.037 173.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -62.27 -23.37 66.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.54 111.018 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -63.7 -52.33 61.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.911 -0.586 . . . . 1.63 110.444 176.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -80.73 -10.27 59.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 2.2 110.995 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.82 -20.12 33.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 1.44 110.675 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.57 18.87 22.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.603 -0.808 . . . . 0.56 112.981 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.94 104.7 16.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.954 -0.387 . . . . 1.09 109.954 177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.87 178.98 6.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.891 -0.595 . . . . 1.66 110.982 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -53.49 -64.72 0.73 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.072 0.768 . . . . 1.55 113.072 -171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.8 -37.29 86.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 2.22 111.094 -175.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -65.93 -45.67 81.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.882 -0.599 . . . . 1.11 110.451 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.582 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 tp -65.11 -41.72 94.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 1.42 110.416 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.096 0.474 . . . . 0.63 110.79 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.2 m -69.61 -38.42 77.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.6 110.284 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.44 110.378 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.1 mm -54.94 -53.01 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.872 -0.604 . . . . 0.72 110.667 177.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.5 m -62.6 -34.8 77.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 1.21 111.384 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.6 m-80 -61.28 -52.52 64.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 1.44 110.982 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.65 -37.35 79.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.295 -0.411 . . . . 1.22 110.596 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 7.7 tm-20 -58.75 -44.68 90.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.797 -0.638 . . . . 1.81 110.063 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.42 -25.12 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.65 111.157 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ASN . 79.5 t -66.18 -46.1 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.465 -0.334 . . . . 0.58 111.031 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.91 -47.74 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.823 0.345 . . . . 1.04 111.869 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.79 -4.9 82.16 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.91 -0.662 . . . . 1.23 111.718 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.8 p -99.58 179.05 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.611 -0.294 . . . . 1.83 111.341 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 55.17 93.1 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.583 0 O-C-N 123.972 0.795 . . . . 4.01 111.899 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.7 118.33 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.177 1.918 . . . . 3.94 112.0 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -79.59 10.76 3.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 4.03 111.529 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 4.87 109.883 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -79.72 -40.41 28.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 5.89 110.444 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.76 30.3 2.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.792 -0.64 . . . . 2.63 110.914 -177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.8 p -58.39 -26.77 31.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.927 -0.579 . . . . 3.37 111.652 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.34 107.6 3.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.616 -0.513 . . . . 1.8 109.616 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.22 -20.08 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 1.51 110.974 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.5 p -67.21 -6.66 19.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 1.59 111.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 m -80.33 -26.07 38.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 1.94 110.052 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.92 89.46 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.99 -0.55 . . . . 0.67 109.595 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.6 t -96.15 -49.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.842 -0.617 . . . . 0.88 110.656 -177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.3 p -109.35 162.79 14.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.91 -0.587 . . . . 0.65 110.497 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.33 -33.39 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.934 0.397 . . . . 0.6 110.572 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.82 77.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.672 -0.694 . . . . 0.36 111.283 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -59.97 -47.34 86.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.222 0.534 . . . . 2.04 110.16 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.64 -38.84 70.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.353 -0.839 . . . . 0.53 110.631 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.68 69.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.842 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.7 mtm-85 -63.53 -30.13 71.3 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.475 0.176 . . . . 4.06 111.475 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.08 -40.48 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.59 110.571 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.434 ' OH ' ' HA ' ' A' ' 56' ' ' GLU . 72.3 m-85 -90.19 -15.21 31.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.9 111.642 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.81 -29.74 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 0.72 110.261 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -86.13 -5.34 59.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.709 -0.678 . . . . 2.83 110.858 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -90.36 115.84 27.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.817 0.341 . . . . 3.59 110.419 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.41 25.47 61.13 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.02 -0.609 . . . . 2.96 112.018 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.01 129.02 79.81 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.321 0.581 . . . . 3.59 111.244 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.49 111.69 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.239 2.626 . . . . 5.2 112.233 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 134.9 -78.58 0.34 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.39 -0.909 . . . . 6.5 112.756 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.94 133.08 44.93 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.146 2.564 . . . . 8.43 112.9 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.0 m -95.39 127.29 42.67 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 9.92 110.126 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 11.5 Cg_exo -70.16 -35.26 11.79 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.598 2.199 . . . . 11.69 112.092 178.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -107.6 139.66 20.79 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 12.71 110.183 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.54 -12.33 22.52 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.815 2.343 . . . . 13.87 113.044 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.9 tp -73.47 -31.21 63.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.929 0.395 . . . . 16.37 110.267 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.78 -36.63 77.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 13.44 110.694 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -90.06 -0.36 57.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.564 . . . . 14.0 111.058 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.0 -18.43 39.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 17.04 109.736 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 89.8 mt -72.03 109.52 5.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.73 . . . . 17.18 110.298 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -99.74 -32.16 11.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.335 -0.393 . . . . 16.96 110.657 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.8 -43.96 28.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 18.98 109.625 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 88.3 mt -85.45 77.39 9.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.606 -0.725 . . . . 19.25 109.188 173.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -118.33 -6.38 10.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.158 -0.474 . . . . 20.5 111.39 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -90.17 55.47 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.449 0.642 . . . . 22.61 110.079 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.544 -0.741 . . . . 22.66 110.269 -178.812 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.674 -0.57 . . . . 5.43 111.674 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.45 129.62 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.157 -0.312 . . . . 4.76 110.157 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.569 ' HB3' ' OG1' ' A' ' 1' ' ' THR . 18.0 t70 -120.37 133.09 23.96 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.286 -0.415 . . . . 3.49 110.232 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' -2' ' ' ASP . 16.9 Cg_exo -67.93 -18.88 46.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.911 2.407 . . . . 2.79 113.52 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -97.46 -33.98 11.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.522 0.201 . . . . 4.74 111.171 -176.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.569 ' OG1' ' HB3' ' A' ' -2' ' ' ASP . 40.9 p -65.71 -17.5 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.886 0.374 . . . . 2.63 110.732 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.42 -33.7 71.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 2.49 110.596 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.9 -34.04 74.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 2.67 110.022 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -71.65 -40.94 69.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.767 -0.651 . . . . 2.94 109.597 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -56.08 -52.93 62.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.134 -0.939 . . . . 2.67 111.111 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.85 -26.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.78 0.324 . . . . 1.59 110.933 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -75.75 -40.63 55.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.487 -0.324 . . . . 0.75 111.505 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.94 -23.75 52.42 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 119.832 -0.747 . . . . 1.36 109.95 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.59 -45.85 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 2.62 110.931 175.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.18 -37.61 78.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.948 -0.301 . . . . 1.39 110.527 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.9 t80 -62.19 -44.93 95.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.845 0.355 . . . . 0.65 110.174 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.99 -40.68 81.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.822 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.67 -47.13 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 1.37 110.927 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.5 m -67.48 -33.73 64.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 120.685 -0.406 . . . . 1.08 110.669 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.82 -49.13 76.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.306 0.574 . . . . 1.09 110.224 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -67.55 -39.31 84.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.585 -0.734 . . . . 2.01 110.849 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.37 -48.63 64.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.204 -0.453 . . . . 1.54 111.288 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.18 -42.89 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.45 110.746 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.12 78.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.51 111.432 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -79.48 -33.94 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 2.35 111.302 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.25 -46.4 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.69 110.315 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -62.09 -39.85 93.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 1.67 110.514 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.16 97.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.074 -0.584 . . . . 0.94 112.169 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.0 64.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 1.19 111.088 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -82.79 -31.58 28.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.159 0.504 . . . . 3.21 110.421 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.32 15.49 17.43 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.816 -0.707 . . . . 1.22 111.942 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.87 145.26 20.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.706 -0.759 . . . . 1.1 111.785 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.41 144.74 62.72 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.557 2.172 . . . . 1.64 111.868 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.2 tp -81.42 112.63 18.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.3 -0.409 . . . . 2.51 110.602 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -111.06 178.31 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.919 -0.582 . . . . 1.34 110.77 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.25 102.24 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.308 -0.405 . . . . 0.98 111.224 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.82 126.08 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.117 0.484 . . . . 1.31 110.405 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.4 172.78 7.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 2.05 110.332 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -73.41 -35.12 45.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.938 0.399 . . . . 0.7 110.912 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -95.09 16.83 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.04 0.447 . . . . 2.28 110.52 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.2 t -85.75 146.88 26.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 1.17 110.242 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -95.77 130.76 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.184 -0.462 . . . . 3.15 110.102 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 89.1 m-85 -59.08 -31.56 69.01 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.463 -0.79 . . . . 0.54 111.837 -175.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -61.05 -34.18 74.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.164 -0.471 . . . . 1.63 110.892 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.08 -34.02 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.095 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mp -77.09 -5.59 49.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 1.44 110.864 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 28.88 13.17 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.683 -0.77 . . . . 0.56 111.86 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -107.89 119.49 39.61 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.718 -0.475 . . . . 1.09 109.718 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.7 p -96.75 -175.07 3.18 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.422 -0.354 . . . . 1.66 110.224 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -58.73 -41.22 85.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.765 0.317 . . . . 1.55 110.844 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.23 -42.22 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 2.22 110.589 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.94 -40.02 87.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.14 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 mt -65.9 -39.99 91.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.916 -0.584 . . . . 1.42 110.943 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.07 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.63 110.28 176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.4 m -70.13 -44.92 67.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.842 -0.617 . . . . 0.6 110.834 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.41 -50.99 71.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.121 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.5 mt -62.78 -42.62 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.72 110.776 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.0 m -61.08 -36.95 81.01 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.256 0.55 . . . . 1.21 110.833 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -75.22 -31.61 60.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.583 -0.735 . . . . 1.44 110.517 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 2.5 mm? -70.23 -34.9 73.44 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.494 -0.321 . . . . 1.22 110.693 175.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.48 -38.24 71.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.81 110.195 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.13 -14.94 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.65 111.576 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.16 -43.69 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.462 -0.335 . . . . 0.58 111.071 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -96.84 -30.18 13.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.208 0.447 . . . . 1.04 112.208 -177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.94 -3.32 87.36 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.432 -0.667 . . . . 1.23 111.432 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 86' ' ' GLN . 24.2 p -133.35 123.12 24.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.203 -0.499 . . . . 1.83 109.836 -177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 21.0 t70 -146.74 120.57 5.11 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 4.01 111.157 -177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 1.8 Cg_endo -85.1 115.47 1.69 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.925 2.417 . . . . 3.94 110.812 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -99.72 -3.55 32.66 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.869 -0.332 . . . . 4.03 111.478 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.48 80.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 4.87 111.298 -178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.4 -14.1 55.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.232 -0.44 . . . . 5.89 110.82 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.78 -0.08 57.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.494 . . . . 2.63 111.381 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.1 t -66.23 -45.75 89.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.251 0.548 . . . . 3.37 109.772 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -93.97 111.19 22.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.835 -0.621 . . . . 1.8 109.507 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.2 tp -66.69 -14.45 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.533 . . . . 1.51 111.088 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 p -75.72 -5.25 44.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 1.59 111.945 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -80.42 -30.24 37.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.199 0.523 . . . . 1.94 110.44 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.1 mm -91.68 90.23 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.779 -0.646 . . . . 0.67 109.929 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.6 t -91.47 -45.8 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.88 110.457 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.7 p -119.64 168.0 11.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.349 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.591 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 89.0 t -58.14 -40.0 75.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.371 . . . . 0.6 110.348 177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -36.88 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.643 -0.708 . . . . 0.36 112.266 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -66.68 -41.27 88.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 2.04 110.863 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.11 -40.8 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.53 110.379 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.41 97.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.249 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.77 -31.76 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.683 0.278 . . . . 4.06 110.656 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 86' ' ' GLN . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.027 0.441 . . . . 0.59 110.475 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 55' ' ' LEU . 73.8 m-85 -87.77 -11.43 48.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.149 -0.478 . . . . 0.9 111.425 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.2 -24.28 54.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.403 0.621 . . . . 0.72 109.395 171.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -80.0 -21.27 43.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.143 -0.935 . . . . 2.83 109.574 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 26.6 mm-40 -90.91 160.75 15.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.44 -0.8 . . . . 3.59 110.26 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.64 26.39 63.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.861 -0.685 . . . . 2.96 112.187 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 19.1 m -96.6 126.7 42.36 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 120.811 0.339 . . . . 3.59 111.154 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.98 115.81 3.18 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.554 2.17 . . . . 5.2 111.587 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.35 -132.65 6.68 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.021 -0.609 . . . . 6.5 112.209 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.13 137.31 47.63 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.684 2.256 . . . . 8.43 112.005 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -61.56 119.65 48.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.656 -0.498 . . . . 9.92 109.656 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.13 -27.08 57.15 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.708 2.272 . . . . 11.69 113.024 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 97' ' ' ASP . 15.0 t70 -170.9 117.76 0.47 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 12.71 110.522 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.21 -38.39 95.33 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.506 2.804 . . . . 13.87 113.688 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -69.26 -40.48 77.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.255 0.55 . . . . 16.37 109.726 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 94' ' ' ASP . 15.7 t70 -58.83 -38.47 78.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.067 -0.97 . . . . 13.44 111.048 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.37 75.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 14.0 110.5 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -62.22 -53.55 53.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.658 -0.701 . . . . 17.04 110.966 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 83.8 mt -84.29 63.49 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.919 -0.582 . . . . 17.18 110.562 -178.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -62.93 -28.36 70.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.456 0.539 . . . . 16.96 112.456 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -107.51 6.99 28.59 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.674 -0.41 . . . . 18.98 110.853 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.5 tp -139.58 58.83 1.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.394 0.616 . . . . 19.25 110.422 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 80.2 mtt180 -97.73 75.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.843 -0.617 . . . . 20.5 110.631 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -122.15 -61.1 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.247 -0.433 . . . . 22.61 110.671 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.096 -0.956 . . . . 22.66 110.945 -179.257 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.909 -0.476 . . . . 5.43 111.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.28 55.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.519 0.676 . . . . 4.76 110.147 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 10.4 m-20 -90.86 112.32 52.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.507 -0.769 . . . . 3.49 109.347 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -49.87 -35.43 39.96 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.874 3.049 . . . . 2.79 114.331 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -71.74 -18.67 62.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 4.74 110.945 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 63.0 p -106.0 -15.57 14.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.464 -0.334 . . . . 2.63 111.318 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 6' ' ' VAL . 60.9 mt -60.16 -40.73 90.93 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.589 0.218 . . . . 2.49 111.589 -174.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -62.77 -39.04 92.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.126 0.488 . . . . 2.67 110.174 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -69.55 -34.69 74.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.893 -0.594 . . . . 2.94 110.093 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 1' ' ' THR . 78.1 mt-30 -66.74 -35.25 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 2.67 110.632 178.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 2' ' ' LEU . 99.0 t -63.75 -47.29 91.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.092 0.473 . . . . 1.59 110.073 175.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.6 tpt -70.09 -34.46 73.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.701 -0.681 . . . . 0.75 110.326 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.14 -42.3 85.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.36 110.484 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.68 -50.92 71.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 2.62 111.204 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.47 -34.04 47.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 1.39 111.108 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' HA ' HG22 ' A' ' 14' ' ' VAL . 60.7 t80 -70.15 -37.84 75.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.65 110.534 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.08 -31.01 71.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.55 109.959 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.11 -50.44 48.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.409 -0.814 . . . . 1.37 110.567 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.3 m -62.24 -36.71 75.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.198 0 C-N-CA 120.844 -0.342 . . . . 1.08 110.584 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.17 -49.39 74.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.149 0.5 . . . . 1.09 110.158 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -59.95 -37.15 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.45 -0.796 . . . . 2.01 110.76 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 84.9 mm-40 -74.16 -42.3 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 1.54 111.108 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 14' ' ' VAL . 84.9 mt -60.33 -43.24 93.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.526 -0.306 . . . . 0.45 110.454 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.34 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.51 110.879 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.83 -51.75 56.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 2.35 111.043 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 -52.52 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.69 111.188 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.05 -32.98 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.233 -0.187 . . . . 1.67 111.089 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.11 -48.72 72.44 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.746 -0.74 . . . . 0.94 112.144 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.78 -23.29 55.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.879 0.371 . . . . 1.19 111.037 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -76.87 -30.99 56.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 3.21 110.638 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.43 16.89 51.78 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.72 -0.673 . . . . 1.22 111.548 -176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 28' ' ' PRO . . . -96.95 148.1 18.89 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.086 -0.578 . . . . 1.1 112.034 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD3' ' HA2' ' A' ' 27' ' ' GLY . 27.2 Cg_exo -62.52 127.19 20.13 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.819 2.346 . . . . 1.64 112.578 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 tp -90.5 114.69 26.93 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.118 -0.492 . . . . 2.51 110.161 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.4 m -110.76 172.24 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 1.34 110.318 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.61 24.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.945 0.402 . . . . 0.98 110.924 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -105.44 139.86 25.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 1.31 110.457 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.94 171.63 7.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.157 -0.474 . . . . 2.05 109.785 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.96 -31.03 44.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.888 0.375 . . . . 0.7 111.082 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -93.18 5.67 50.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.272 0.558 . . . . 2.28 110.768 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.1 m -68.15 136.43 53.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.962 0.411 . . . . 1.17 110.651 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.0 130.72 36.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.88 -0.785 . . . . 3.15 108.88 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 86.5 m-85 -58.89 -39.63 82.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 0.54 111.842 -174.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 22.7 m -65.09 -41.08 95.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.017 0.437 . . . . 1.63 110.308 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.66 -28.38 65.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.615 -0.721 . . . . 2.2 110.304 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.5 tp -74.17 -20.13 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.626 -0.716 . . . . 1.44 110.713 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.16 7.94 12.04 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.86 -0.686 . . . . 0.56 113.13 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.4 mm? -104.57 123.2 47.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.056 -0.35 . . . . 1.09 110.056 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 t -79.28 173.47 12.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.378 -0.601 . . . . 1.66 109.378 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 p -57.01 -40.87 77.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.88 0.371 . . . . 1.55 110.652 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.8 mt -61.26 -43.47 98.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 2.22 110.6 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' HB3' HD12 ' A' ' 43' ' ' LEU . 19.8 m-20 -66.99 -42.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.819 -0.628 . . . . 1.11 109.995 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' ILE . 49.0 tp -62.6 -40.91 98.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.476 -0.784 . . . . 1.42 110.436 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.05 87.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.878 0.37 . . . . 0.63 110.59 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -66.31 -42.08 88.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.1 -0.5 . . . . 0.6 110.089 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.4 tp -61.01 -47.83 84.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.44 111.091 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 48' ' ' LEU . 53.6 mt -63.7 -43.72 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.72 111.317 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.3 p -67.77 -38.57 83.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.714 0.292 . . . . 1.21 111.132 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 1.44 110.472 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.13 -36.84 75.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 1.22 110.267 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.92 -43.65 94.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.855 -0.611 . . . . 1.81 110.267 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.49 -22.13 66.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 0.65 111.35 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.63 -48.47 46.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.398 -0.365 . . . . 0.58 110.74 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -85.28 -44.91 12.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 1.04 111.821 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.15 14.67 82.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.017 -0.611 . . . . 1.23 111.945 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.6 p -129.6 169.2 15.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.597 0.221 . . . . 1.83 111.597 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 71.37 115.96 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.569 0 O-C-N 124.282 0.989 . . . . 4.01 111.821 177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.87 130.73 9.71 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.998 2.466 . . . . 3.94 112.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -112.21 11.9 20.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.075 -0.511 . . . . 4.03 111.888 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.63 83.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.71 0.291 . . . . 4.87 110.993 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.61 -10.29 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.441 0.639 . . . . 5.89 110.39 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.28 29.42 7.69 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.182 -0.917 . . . . 2.63 110.76 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.6 p -70.63 -14.78 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.862 -0.608 . . . . 3.37 111.747 -174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.24 104.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.8 110.502 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.39 -31.15 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 1.51 111.529 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.9 p -77.2 -2.96 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.281 0.474 . . . . 1.59 112.281 -175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.4 m -75.37 -24.4 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.457 . . . . 1.94 110.444 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.5 mm -81.14 98.56 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.696 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.45 -60.38 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.047 -0.524 . . . . 0.88 110.715 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 66.6 p -111.17 174.84 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.909 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 83.2 t -59.57 -35.78 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.181 0.515 . . . . 0.6 110.084 176.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.15 -37.03 71.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.431 -0.804 . . . . 0.36 111.713 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.09 -35.53 81.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 2.04 110.71 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.7 tp -80.8 -50.75 9.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.029 -0.532 . . . . 0.53 110.913 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.21 93.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 0.38 111.88 -175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.99 -31.88 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 4.06 110.841 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.66 -56.5 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.59 111.017 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -66.37 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.561 -0.29 . . . . 0.9 111.343 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.63 61.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.72 111.627 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.68 -11.93 60.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 2.83 110.927 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -89.05 126.01 35.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.977 0.418 . . . . 3.59 110.41 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.66 28.21 14.92 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.785 -0.643 . . . . 2.96 112.543 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.86 136.87 21.18 Favored Pre-proline 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 3.59 111.215 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -81.25 109.75 2.17 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.659 2.239 . . . . 5.2 111.586 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -133.33 -104.28 0.87 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.561 -0.828 . . . . 6.5 112.166 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.67 137.08 34.89 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.486 2.124 . . . . 8.43 112.13 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.8 m -66.74 120.67 72.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.913 -0.585 . . . . 9.92 110.151 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 72.3 Cg_exo -51.7 -36.45 61.57 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.847 3.031 . . . . 11.69 113.557 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -110.21 103.75 54.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.727 0.299 . . . . 12.71 110.88 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.35 -29.17 88.26 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.836 2.357 . . . . 13.87 112.151 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.67 -37.56 73.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.82 -0.627 . . . . 16.37 109.996 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.25 -28.48 61.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 13.44 110.055 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.79 -26.95 64.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.62 . . . . 14.0 110.781 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.61 -36.55 26.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 17.04 110.409 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.9 mt -98.96 52.45 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 17.18 110.999 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 2.7 mmp_? -77.17 -29.97 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.424 . . . . 16.96 111.138 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -92.53 -1.7 56.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.346 0.593 . . . . 18.98 110.015 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 103' ' ' LEU . 3.8 mm? 59.61 35.38 22.49 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.002 -0.999 . . . . 19.25 110.927 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 3.9 tpm_? -124.34 118.12 26.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.33 -0.85 . . . . 20.5 109.177 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 106' ' ' LEU . 9.0 tt0 -72.97 -35.77 66.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.502 -0.317 . . . . 22.61 111.128 -177.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 63.5 tp . . . . . 0 C--O 1.247 0.932 0 O-C-N 124.014 0.821 . . . . 22.66 110.961 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.555 -0.618 . . . . 5.43 111.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.9 tt -145.08 138.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.146 0.498 . . . . 4.76 110.761 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -75.46 146.77 81.38 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.695 -0.684 . . . . 3.49 110.171 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.99 -24.06 55.33 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.246 2.63 . . . . 2.79 112.765 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.63 -57.94 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 4.74 110.283 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 p -68.81 -22.91 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 2.63 110.997 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.86 -40.54 95.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 2.49 110.522 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -68.89 -35.15 76.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.173 0.511 . . . . 2.67 109.907 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -67.08 -40.46 86.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 2.94 109.551 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.75 -46.44 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.85 -0.614 . . . . 2.67 111.623 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.39 -29.23 41.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.998 0.428 . . . . 1.59 110.084 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.7 tpt -68.1 -39.6 82.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.485 -0.561 . . . . 0.75 109.485 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -58.58 -40.96 84.64 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.942 -0.572 . . . . 1.36 110.369 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.28 -51.99 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.345 -0.843 . . . . 2.62 110.806 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.7 t -68.86 -43.96 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 1.39 111.407 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.447 -0.342 . . . . 0.65 111.316 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.9 -33.31 75.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.55 110.146 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 56.3 tp60 -63.32 -55.06 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.839 -0.619 . . . . 1.37 110.605 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.2 m -63.91 -36.2 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.501 -0.318 . . . . 1.08 110.991 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -61.73 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.982 0.42 . . . . 1.09 110.106 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 51.7 t-80 -56.73 -44.58 81.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 2.01 110.501 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -63.87 -41.86 97.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.139 -0.482 . . . . 1.54 110.838 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 14' ' ' VAL . 86.8 mt -58.72 -46.73 90.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.45 110.362 176.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.76 -34.77 76.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.717 -0.674 . . . . 0.51 111.485 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -72.14 -43.32 64.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.62 0.248 . . . . 2.35 111.041 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.8 -44.84 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.69 110.554 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 22' ' ' LEU . 14.0 tp -68.34 -37.41 80.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.943 -0.571 . . . . 1.67 110.633 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.67 95.13 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 121.113 -0.565 . . . . 0.94 112.381 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.45 -18.15 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.112 0.482 . . . . 1.19 110.968 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -82.72 -20.75 35.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.547 . . . . 3.21 110.292 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 9.38 44.75 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.73 . . . . 1.22 111.992 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.87 157.84 23.03 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.993 -0.622 . . . . 1.1 111.97 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.86 157.29 47.69 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.775 2.316 . . . . 1.64 111.768 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 tt -74.58 108.69 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.53 -0.915 . . . . 2.51 108.53 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 m -87.97 156.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.893 -0.594 . . . . 1.34 111.364 -174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.07 100.16 8.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.98 109.581 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.12 114.5 17.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.82 -0.627 . . . . 1.31 110.821 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 24.7 mm-40 -95.2 153.03 17.86 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.273 -0.64 . . . . 2.05 109.273 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 77' ' ' ALA . 9.9 tp -64.86 -26.52 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.093 0.473 . . . . 0.7 110.822 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -98.64 4.77 48.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 2.28 111.337 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 33' ' ' GLU . 73.6 m -67.01 117.67 9.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.411 . . . . 1.17 111.3 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -69.41 126.31 29.38 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.296 -1.001 . . . . 3.15 108.296 170.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' CG ' HD21 ' A' ' 48' ' ' LEU . 45.9 m-85 -49.93 -53.0 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.791 0.663 . . . . 0.54 112.791 -169.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.0 m -66.01 -29.27 69.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.738 0.304 . . . . 1.63 111.465 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.42 -30.49 64.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.334 0.588 . . . . 2.2 110.292 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 tp -79.77 -17.24 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 1.44 110.654 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.22 5.0 15.37 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.839 -0.696 . . . . 0.56 112.999 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.88 103.42 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.959 0.409 . . . . 1.09 110.169 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 -178.99 7.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.191 -0.458 . . . . 1.66 111.399 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -50.54 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 1.55 111.87 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.1 -40.99 91.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 2.22 110.815 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.58 -41.24 98.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 1.11 110.445 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' CG ' ' A' ' 38' ' ' PHE . 34.6 mt -59.41 -47.53 85.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 1.42 111.28 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.78 -47.17 80.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.63 110.398 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 m -65.1 -43.34 92.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.045 -0.525 . . . . 0.6 110.871 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 tp -56.03 -54.11 48.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.342 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 48' ' ' LEU . 35.1 mt -67.43 -28.95 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.337 -0.392 . . . . 0.72 110.898 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -66.5 -41.71 88.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.841 0.353 . . . . 1.21 110.577 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.18 -36.57 77.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.038 0.447 . . . . 1.44 109.837 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.57 -36.19 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 1.22 110.417 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.68 -45.36 81.79 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.181 -0.463 . . . . 1.81 110.219 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.06 63.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.65 111.421 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.49 -50.94 19.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.414 -0.357 . . . . 0.58 110.798 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.76 -32.62 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.119 0.414 . . . . 1.04 112.119 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.23 13.2 82.26 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.024 -0.608 . . . . 1.23 112.033 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 p -126.23 -175.65 3.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.79 -0.205 . . . . 1.83 110.499 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 75.97 110.67 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.355 0 O-C-N 124.212 0.945 . . . . 4.01 112.035 171.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.07 131.96 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.125 2.55 . . . . 3.94 112.674 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -74.14 -7.1 51.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 4.03 111.357 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.74 86.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.908 0.385 . . . . 4.87 110.049 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.43 -40.36 23.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 5.89 109.925 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.13 28.56 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 2.63 111.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.17 -22.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.331 0.586 . . . . 3.37 109.917 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.19 77.01 8.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.611 -0.722 . . . . 1.8 110.124 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.3 tp -62.83 -22.81 31.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 1.51 110.641 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 p -69.4 -13.6 62.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 1.59 111.642 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.3 t -79.93 -19.26 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.382 -0.599 . . . . 1.94 109.382 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.93 89.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.666 -0.697 . . . . 0.67 109.419 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.06 -51.09 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.129 -0.487 . . . . 0.88 110.551 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.6 p -107.22 162.43 13.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.583 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.52 -37.73 53.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.381 . . . . 0.6 110.192 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -52.94 -38.7 62.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.649 -0.705 . . . . 0.36 111.681 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -63.52 -48.27 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.953 0.406 . . . . 2.04 110.918 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.5 tp -70.96 -42.72 69.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.53 110.48 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.28 83.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.38 111.39 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 47.8 mtm105 -62.04 -36.11 80.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.718 -0.219 . . . . 4.06 111.288 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.16 75.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.59 110.918 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -82.25 -12.57 57.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.9 111.39 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.57 -24.52 61.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.02 0.438 . . . . 0.72 110.131 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 79.7 mm-40 -77.4 -16.85 58.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 2.83 110.393 176.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -78.9 113.63 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 3.59 109.879 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.18 -24.21 4.78 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.939 -0.648 . . . . 2.96 111.986 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -109.21 130.14 23.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.764 0.316 . . . . 3.59 110.358 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.77 109.18 1.21 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.55 2.167 . . . . 5.2 112.646 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.98 -108.73 3.23 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.839 -0.904 . . . . 6.5 110.839 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.41 118.93 5.92 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.18 1.92 . . . . 8.43 110.75 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.4 p -83.59 119.44 73.76 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.645 -0.252 . . . . 9.92 110.934 -176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.78 -21.07 38.98 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.512 2.142 . . . . 11.69 111.699 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -127.91 84.73 62.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 121.474 0.654 . . . . 12.71 110.463 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -86.26 -3.66 8.63 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.827 2.351 . . . . 13.87 112.797 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.77 -41.74 99.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.363 -0.38 . . . . 16.37 110.783 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 1.6 m-20 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.162 -0.472 . . . . 13.44 111.157 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.49 73.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.969 0.414 . . . . 14.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -70.2 -47.85 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.726 -0.67 . . . . 17.04 110.442 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 88.7 mt -87.61 93.76 9.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.918 -0.583 . . . . 17.18 109.997 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -61.8 -35.84 79.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.743 -0.662 . . . . 16.96 111.525 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.71 -24.96 63.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 18.98 110.509 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.2 tp -80.69 -37.24 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 19.25 109.7 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.625 ' HB2' ' O ' ' A' ' 97' ' ' ASP . 19.7 tpt180 -67.33 -38.35 84.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.536 -0.756 . . . . 20.5 111.011 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -71.58 96.71 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 22.61 110.344 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.51 -0.757 . . . . 22.66 109.968 -178.336 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.609 -0.596 . . . . 5.43 111.609 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 33.1 pt -69.08 141.88 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 4.76 110.695 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -105.66 109.5 63.25 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.176 -0.466 . . . . 3.49 110.683 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.84 -20.26 34.7 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.49 2.127 . . . . 2.79 112.539 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -71.93 -49.02 41.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.258 -0.428 . . . . 4.74 110.995 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.491 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 3.2 p -67.35 -35.81 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.471 -0.331 . . . . 2.63 111.125 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.14 -40.26 97.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.244 0.545 . . . . 2.49 109.703 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.18 -38.48 89.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.662 -0.699 . . . . 2.67 110.184 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -63.12 -36.04 82.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.94 110.619 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 1' ' ' THR . 92.1 mt-30 -63.59 -50.86 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 2.67 110.108 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.2 -36.54 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.59 110.463 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.7 tpt -63.51 -37.03 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.749 -0.66 . . . . 0.75 110.849 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.12 -37.98 87.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.08 0.467 . . . . 1.36 110.089 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 92.1 mt-30 -63.95 -46.42 84.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.658 -0.701 . . . . 2.62 111.16 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 14' ' ' VAL . 8.9 p -70.84 -35.52 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.955 -0.298 . . . . 1.39 110.533 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HA ' HG22 ' A' ' 14' ' ' VAL . 55.2 t80 -63.12 -43.75 97.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.641 0.257 . . . . 0.65 110.413 177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.09 -36.25 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.111 0.481 . . . . 0.55 110.933 178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 11.7 tt0 -77.35 -45.2 26.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.988 -0.551 . . . . 1.37 111.053 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 11' ' ' PHE . 12.5 m -66.03 -33.76 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 C-N-CA 120.723 -0.391 . . . . 1.08 110.303 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.37 -45.87 90.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.184 0.516 . . . . 1.09 109.784 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 32.5 t-80 -62.32 -40.7 97.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 2.01 110.415 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 12.5 mm100 -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.385 -0.371 . . . . 1.54 110.852 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.9 mt -58.67 -45.32 90.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 121.15 0.5 . . . . 0.45 109.851 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.0 71.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.74 . . . . 0.51 111.371 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.3 mm-40 -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 2.35 110.349 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.5 -42.33 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.69 110.248 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 84.8 mt -60.67 -41.76 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.015 -0.539 . . . . 1.67 110.403 177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.95 -36.16 90.57 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.718 -0.674 . . . . 0.94 112.114 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.59 -32.64 74.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 1.19 110.745 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -77.44 -22.18 51.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 3.21 110.37 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.07 22.31 78.03 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.319 -0.855 . . . . 1.22 111.563 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.09 177.56 33.97 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.791 -0.719 . . . . 1.1 112.794 -174.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.97 146.13 51.9 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.182 2.588 . . . . 1.64 111.939 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.63 134.53 48.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 2.51 110.369 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.05 171.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.991 -0.55 . . . . 1.34 110.506 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.83 106.13 18.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.721 -0.474 . . . . 0.98 109.721 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.36 112.15 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.428 0.632 . . . . 1.31 112.149 -173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -112.81 174.65 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.948 -0.76 . . . . 2.05 108.948 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -72.09 -26.35 24.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.466 0.65 . . . . 0.7 110.141 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.39 2.53 52.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 2.28 111.026 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -75.55 143.24 42.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.111 -0.495 . . . . 1.17 111.112 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -90.04 140.27 29.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.026 -0.731 . . . . 3.15 109.026 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.4 ' CG ' HD21 ' A' ' 48' ' ' LEU . 78.7 m-85 -64.69 -16.77 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.478 0.547 . . . . 0.54 112.478 -172.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.6 t -65.21 -34.91 79.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.101 0.477 . . . . 1.63 109.819 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.24 -12.3 59.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 2.2 110.204 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.05 1.95 39.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.777 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 31.34 68.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.888 -0.673 . . . . 0.56 112.564 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 mt -119.24 119.35 33.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.9 0.381 . . . . 1.09 110.59 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 t -96.47 -173.47 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.391 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 t -58.62 -41.55 86.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.004 0.431 . . . . 1.55 110.774 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.98 -39.5 93.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.353 0.597 . . . . 2.22 110.541 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -71.2 -35.95 71.74 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 1.11 109.928 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' O ' HG13 ' A' ' 52' ' ' ILE . 29.3 mt -60.88 -49.76 76.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.882 -0.599 . . . . 1.42 110.814 175.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.5 71.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.283 0.563 . . . . 0.63 110.585 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.3 m -69.13 -44.0 73.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.6 110.804 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.36 -45.44 91.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.177 -0.465 . . . . 0.44 111.096 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 48' ' ' LEU . 68.4 mt -60.55 -37.49 75.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.009 -0.541 . . . . 0.72 110.424 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m -69.51 -35.05 75.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.376 -0.375 . . . . 1.21 110.803 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.06 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 1.44 110.914 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 tp -87.22 -31.24 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.139 0.495 . . . . 1.22 110.17 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.27 -48.52 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.452 -0.795 . . . . 1.81 110.94 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.32 -9.3 46.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.65 111.936 -176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.19 -46.03 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.578 -0.283 . . . . 0.58 110.871 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -98.07 -19.05 18.2 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.141 0.423 . . . . 1.04 112.141 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.04 24.1 76.51 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.72 -0.753 . . . . 1.23 111.572 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.1 p -86.68 166.21 15.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.779 0.323 . . . . 1.83 111.057 -177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -89.92 121.64 68.67 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.951 -0.568 . . . . 4.01 109.617 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.4 115.67 3.03 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.298 1.999 . . . . 3.94 111.937 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -85.11 -2.43 57.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.957 -0.565 . . . . 4.03 111.307 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.935 0.398 . . . . 4.87 111.373 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -92.0 -12.48 33.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 5.89 110.83 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.63 -39.39 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 2.63 111.926 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.04 10.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.158 0.504 . . . . 3.37 110.24 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.75 140.09 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.14 -0.936 . . . . 1.8 112.305 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.0 tp -71.72 -20.09 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 1.51 111.036 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.1 p -69.53 -13.48 62.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 1.59 111.384 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -68.85 -22.26 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 1.94 110.518 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -81.46 96.92 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.948 -0.569 . . . . 0.67 110.338 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.55 -53.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.008 0.432 . . . . 0.88 110.086 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.8 p -117.98 176.85 5.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.205 -0.452 . . . . 0.65 110.88 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.54 -35.13 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.607 -0.516 . . . . 0.6 109.607 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.71 71.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.382 -0.827 . . . . 0.36 111.659 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.6 -45.32 85.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.018 0.437 . . . . 2.04 110.816 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 tp -73.14 -47.23 45.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.53 110.984 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 -49.27 64.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.38 111.742 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -66.72 -23.27 66.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.708 0.289 . . . . 4.06 111.222 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.85 -53.22 57.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.413 -0.358 . . . . 0.59 110.376 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -79.6 -20.96 45.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.9 111.303 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -28.17 69.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.72 110.734 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -81.24 -13.63 58.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.917 -0.583 . . . . 2.83 110.842 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -90.15 114.62 26.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.744 -0.465 . . . . 3.59 109.744 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.94 22.09 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.346 -0.93 . . . . 2.96 112.945 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 27.1 m -77.07 123.38 87.26 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.955 0.377 . . . . 3.59 110.701 178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 88' ' ' VAL . 25.2 Cg_exo -62.07 110.79 1.08 Allowed 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.641 2.227 . . . . 5.2 111.899 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.18 -82.89 1.05 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.893 -0.67 . . . . 6.5 112.021 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.44 164.12 36.56 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.721 2.281 . . . . 8.43 111.074 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 33.4 t -61.2 118.56 37.56 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.518 -0.31 . . . . 9.92 110.194 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 14.2 Cg_exo -71.75 -4.4 14.99 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.064 2.509 . . . . 11.69 112.439 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.9 t70 -115.66 120.23 36.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 12.71 110.288 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 94' ' ' ASP . 32.4 Cg_exo -59.76 -29.93 90.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.072 2.515 . . . . 13.87 113.068 -177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.404 ' HB2' ' OD1' ' A' ' 94' ' ' ASP . 42.6 mt -74.2 -44.7 52.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.153 -0.476 . . . . 16.37 110.054 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.15 -31.14 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.933 -0.576 . . . . 13.44 110.528 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.09 -28.82 65.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 14.0 110.908 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -81.38 -49.1 11.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 17.04 110.097 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.9 tp -87.51 52.25 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.793 0.806 . . . . 17.18 109.607 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -75.85 -51.18 13.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.125 -0.943 . . . . 16.96 110.365 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -98.83 -65.78 0.94 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.869 -0.605 . . . . 18.98 110.202 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.3 tp -179.25 -65.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.646 -0.706 . . . . 19.25 110.274 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -169.39 -166.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 20.5 109.979 -176.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 66.92 37.3 4.01 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.555 0.693 . . . . 22.61 110.038 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.2 tp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.593 -0.718 . . . . 22.66 110.287 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.08 -0.408 . . . . 5.43 112.08 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.605 ' O ' ' HD3' ' A' ' -1' ' ' PRO . 0.2 OUTLIER -128.22 163.89 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.949 -0.389 . . . . 4.76 109.949 179.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -100.73 94.25 3.47 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.13 0.49 . . . . 3.49 110.869 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' -3' ' ' ILE . 14.5 Cg_exo -70.21 -37.06 8.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.329 2.686 . . . . 2.79 113.249 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.18 -27.99 69.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 4.74 111.451 -173.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m -59.7 -41.56 91.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.347 -0.388 . . . . 2.63 111.202 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.15 -40.15 86.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 2.49 110.087 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.05 -50.04 75.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.789 -0.641 . . . . 2.67 111.076 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -72.08 -29.5 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.302 -0.408 . . . . 2.94 110.505 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -65.41 -52.82 50.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 2.67 110.751 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.79 -29.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 1.59 110.477 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.1 tpt -62.98 -44.94 94.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.709 -0.478 . . . . 0.75 109.709 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.0 -38.43 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.36 110.351 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.1 -51.28 70.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 2.62 110.447 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.11 -45.11 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.607 -0.724 . . . . 1.39 110.686 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HA ' HG22 ' A' ' 14' ' ' VAL . 90.1 t80 -61.75 -45.85 92.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.65 110.833 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.96 -40.6 85.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 0.55 110.799 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.5 -46.1 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.895 -0.593 . . . . 1.37 111.062 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 20.6 m -70.55 -35.71 62.71 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.246 0 C-N-CA 120.84 -0.344 . . . . 1.08 110.469 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.08 -48.57 79.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.183 0.516 . . . . 1.09 110.065 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.08 -37.78 88.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.322 -0.853 . . . . 2.01 110.047 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 tp-100 -69.99 -42.35 73.18 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.976 -0.556 . . . . 1.54 110.598 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 97.6 mt -58.94 -47.34 90.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.914 0.388 . . . . 0.45 110.34 176.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.99 81.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.763 -0.653 . . . . 0.51 110.77 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -62.51 -44.63 95.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.902 -0.59 . . . . 2.35 110.861 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 17' ' ' GLN . 84.5 t -63.6 -43.19 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.675 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.55 -44.69 95.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.67 110.765 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.54 -36.2 87.93 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.83 -0.623 . . . . 0.94 112.16 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.3 -34.58 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 1.19 110.841 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.02 -10.32 59.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.309 -0.405 . . . . 3.21 111.087 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.15 76.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.939 -0.648 . . . . 1.22 111.793 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.76 167.62 25.77 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.933 -0.651 . . . . 1.1 112.193 -177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.23 124.62 14.19 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.844 2.363 . . . . 1.64 112.052 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.1 tp -71.46 109.48 5.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.126 0.488 . . . . 2.51 110.205 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.95 165.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.592 -0.731 . . . . 1.34 110.703 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.07 90.79 7.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.146 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 p -77.37 122.69 32.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.893 -0.594 . . . . 1.31 110.687 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.33 179.86 4.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.583 -0.735 . . . . 2.05 110.163 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 tp -61.37 -41.03 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 112.306 0.484 . . . . 0.7 112.306 -172.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.23 22.65 13.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.913 0.387 . . . . 2.28 111.452 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HB3' HD21 ' A' ' 41' ' ' LEU . 56.5 m -75.75 140.97 42.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.322 -0.399 . . . . 1.17 110.395 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 49.5 mtp180 -94.99 127.97 41.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.205 0.526 . . . . 3.15 109.816 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CG ' HD21 ' A' ' 48' ' ' LEU . 62.8 m-85 -56.11 -37.46 69.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.985 -1.007 . . . . 0.54 112.424 -172.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 p -59.42 -42.2 91.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.137 0.494 . . . . 1.63 111.031 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.28 -15.22 57.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 2.2 110.759 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 36' ' ' SER . 88.5 mt -88.22 -20.79 25.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.145 -0.48 . . . . 1.44 110.781 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.62 17.34 10.58 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.8 -0.714 . . . . 0.56 112.491 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 3.3 mm? -105.45 100.19 9.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.829 -0.434 . . . . 1.09 109.829 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 t -83.54 -173.03 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.204 -0.453 . . . . 1.66 110.344 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 m -57.5 -49.43 76.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 1.55 111.131 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.9 tp -64.19 -37.07 86.14 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.247 -0.433 . . . . 2.22 110.759 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.04 -45.74 90.82 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.945 -0.391 . . . . 1.11 109.945 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 38' ' ' PHE . 51.7 mt -63.03 -48.16 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 1.42 111.211 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.19 -42.32 69.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.63 110.658 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -71.48 -46.06 60.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.6 110.629 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.57 -49.74 76.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.44 111.517 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' LEU . 58.2 mt -63.64 -38.36 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.711 0.291 . . . . 0.72 110.57 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.536 ' O ' ' HB3' ' A' ' 56' ' ' GLU . 35.1 m -70.0 -34.87 73.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 1.21 110.375 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -69.04 -30.67 69.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.862 -0.608 . . . . 1.44 109.837 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.13 -21.72 49.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.949 -0.568 . . . . 1.22 110.806 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 53' ' ' SER . 25.4 tt0 -62.34 -37.97 87.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.286 0.565 . . . . 1.81 109.668 173.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.1 -11.52 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.765 -0.652 . . . . 0.65 110.672 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.5 t -92.43 -59.11 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.58 110.822 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -96.22 -50.26 4.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.04 111.293 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.19 9.63 76.23 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.064 -0.588 . . . . 1.23 112.331 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.423 HG21 ' HA3' ' A' ' 87' ' ' GLY . 41.5 p -108.24 165.08 11.76 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.945 -0.15 . . . . 1.83 111.085 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t0 58.72 75.92 0.49 Allowed Pre-proline 0 N--CA 1.469 0.477 0 O-C-N 123.739 0.65 . . . . 4.01 111.05 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.29 161.11 20.91 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.315 2.677 . . . . 3.94 113.208 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 47.5 m-85 -75.64 8.96 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.242 -0.89 . . . . 4.03 112.115 -175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.13 -43.44 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.472 -0.566 . . . . 4.87 109.472 172.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -105.77 -22.82 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 5.89 110.384 176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . . . -85.08 18.28 2.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.101 0.477 . . . . 2.63 110.957 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.6 p -80.79 -14.08 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.368 0.604 . . . . 3.37 109.866 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.95 77.14 3.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.481 -0.781 . . . . 1.8 110.495 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.0 tt -73.34 -27.46 23.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 1.51 111.107 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 p -69.58 -20.93 63.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 1.59 110.979 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -78.59 -18.43 54.6 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.003 -0.544 . . . . 1.94 110.261 177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.96 89.4 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.67 109.525 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.92 -49.38 11.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.093 -0.503 . . . . 0.88 110.609 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 p -107.97 165.79 11.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.65 110.68 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.7 t -59.69 -37.75 72.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.826 0.346 . . . . 0.6 110.115 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 81' ' ' ARG . . . -51.76 -44.69 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.36 111.807 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -58.67 -41.13 85.44 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.941 0.401 . . . . 2.04 111.05 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.8 tp -79.42 -40.34 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.989 -0.551 . . . . 0.53 110.762 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.1 81.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.38 111.176 -178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 5.7 ptp180 -65.46 -25.53 67.55 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 116.733 -0.212 . . . . 4.06 111.016 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.61 28.58 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.923 0.392 . . . . 0.59 110.563 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -75.44 -23.07 56.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.9 111.531 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' ' HB ' ' A' ' 88' ' ' VAL . . . -80.52 -17.68 50.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.345 . . . . 0.72 111.399 179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -96.95 -40.0 9.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.323 -0.398 . . . . 2.83 110.556 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -86.55 118.24 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 3.59 110.562 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA3' HG21 ' A' ' 61' ' ' THR . . . 70.78 34.85 66.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.119 -0.562 . . . . 2.96 112.415 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 84' ' ' ALA . 3.2 p -79.07 131.86 65.24 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.3 . . . . 3.59 110.323 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.34 108.36 0.68 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.498 2.132 . . . . 5.2 111.357 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.3 161.5 20.68 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.786 -0.721 . . . . 6.5 111.888 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.04 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.52 2.147 . . . . 8.43 111.092 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.9 t -67.17 118.16 53.26 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.25 -0.432 . . . . 9.92 110.02 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.49 -8.83 14.93 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.416 2.077 . . . . 11.69 110.89 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . 7.1 p-10 -129.87 59.37 44.53 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.861 -1.063 . . . . 12.71 110.904 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.29 -26.15 17.82 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.076 1.851 . . . . 13.87 112.269 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 tt -90.72 -43.3 10.2 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.677 -0.692 . . . . 16.37 109.864 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 94' ' ' ASP . 8.1 m-20 -66.61 -30.07 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 13.44 111.291 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.31 -21.41 63.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 14.0 110.813 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.86 -55.27 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.515 -0.312 . . . . 17.04 110.759 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 100' ' ' LEU . 2.7 pt? -87.76 20.25 3.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.204 0.526 . . . . 17.18 110.804 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -81.45 -29.38 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.793 -0.64 . . . . 16.96 109.989 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.86 -28.83 62.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.686 -0.688 . . . . 18.98 110.645 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.1 tp -86.49 122.89 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.828 -0.624 . . . . 19.25 110.838 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -84.17 109.51 17.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.234 -0.439 . . . . 20.5 109.88 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -92.22 144.97 24.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.008 0.433 . . . . 22.61 110.838 -176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.539 -0.744 . . . . 22.66 109.803 179.346 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.701 -0.559 . . . . 5.43 111.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . 0.405 ' O ' ' HD3' ' A' ' -1' ' ' PRO . 28.8 pt -114.28 157.83 14.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.987 0.422 . . . . 4.76 111.264 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -112.93 89.15 13.03 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.58 -0.736 . . . . 3.49 109.956 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' -3' ' ' ILE . 48.7 Cg_exo -57.54 -33.78 97.02 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.624 2.883 . . . . 2.79 114.196 -172.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.21 -54.13 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 4.74 110.867 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.94 54.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.052 -0.522 . . . . 2.63 111.147 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.11 -40.26 86.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 2.49 109.847 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -60.66 -33.61 73.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 2.67 110.527 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -83.48 -27.22 29.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.175 -0.466 . . . . 2.94 110.672 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -66.0 -48.76 70.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 2.67 110.546 177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 p -68.01 -29.66 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.992 0.425 . . . . 1.59 110.209 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.1 tpt -66.49 -41.15 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.013 -0.54 . . . . 0.75 109.745 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.54 -31.85 73.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.68 -0.691 . . . . 1.36 110.842 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.77 -43.22 99.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 2.62 110.063 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.46 -41.94 78.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.883 -0.599 . . . . 1.39 110.23 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.456 ' HA ' HG22 ' A' ' 14' ' ' VAL . 57.4 t80 -61.72 -38.81 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.651 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.71 -36.55 74.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.55 110.637 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.05 -43.27 68.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.125 -0.489 . . . . 1.37 110.947 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 11' ' ' PHE . 15.9 m -70.71 -36.37 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.66 -0.416 . . . . 1.08 110.144 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.28 -46.56 89.83 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.674 -0.491 . . . . 1.09 109.674 174.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -55.47 -48.36 74.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.236 -0.893 . . . . 2.01 110.129 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -63.25 -46.6 86.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 1.54 111.613 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.4 mt -58.12 -49.0 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.45 110.855 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.45 -34.13 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.51 110.981 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.45 -46.56 79.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.977 -0.556 . . . . 2.35 110.718 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.83 -60.27 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.216 -0.447 . . . . 0.69 111.11 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.29 -45.9 92.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 1.67 111.458 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.41 -37.31 93.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.052 -0.594 . . . . 0.94 112.96 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -29.85 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 1.19 111.239 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -90.01 6.26 43.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.306 -0.406 . . . . 3.21 111.114 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.18 23.76 73.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.858 -0.686 . . . . 1.22 112.727 177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.13 164.78 53.61 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.934 -0.651 . . . . 1.1 112.015 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 137.09 41.34 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.574 2.183 . . . . 1.64 111.873 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.0 108.69 7.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 2.51 109.843 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.2 m -113.47 149.28 15.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.716 -0.674 . . . . 1.34 110.587 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.61 93.11 8.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.936 0.398 . . . . 0.98 110.595 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.19 129.85 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.059 -0.519 . . . . 1.31 110.378 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -117.81 157.32 26.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.887 -0.597 . . . . 2.05 109.776 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.8 tp -68.83 -20.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.186 0.517 . . . . 0.7 110.422 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -100.5 -5.48 26.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 2.28 111.616 -178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.5 p -86.28 156.59 20.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.925 0.393 . . . . 1.17 111.293 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HG2' HG12 ' A' ' 74' ' ' VAL . 78.3 mtp180 -86.37 138.89 31.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.828 -0.623 . . . . 3.15 109.771 176.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 90.5 m-85 -56.85 -28.81 62.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.916 -0.584 . . . . 0.54 111.212 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.3 m -61.03 -34.61 75.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.791 -0.64 . . . . 1.63 111.214 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.32 -29.64 64.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.014 0.435 . . . . 2.2 110.791 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.99 -6.66 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.044 -0.526 . . . . 1.44 110.291 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.02 35.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.976 -0.63 . . . . 0.56 112.463 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -102.47 108.59 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.807 0.337 . . . . 1.09 110.44 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 t -89.08 -177.38 5.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.158 -0.474 . . . . 1.66 109.786 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.9 p -60.34 -41.17 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.093 0.473 . . . . 1.55 110.529 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.72 -39.81 90.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 2.22 110.747 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.91 -45.73 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 1.11 110.033 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -36.33 82.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.513 -0.767 . . . . 1.42 111.421 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.11 75.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.08 0.467 . . . . 0.63 110.403 177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 m -69.51 -45.28 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.762 -0.654 . . . . 0.6 110.613 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.89 -53.38 58.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.568 -0.742 . . . . 0.44 111.228 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.83 -31.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.91 -0.586 . . . . 0.72 110.874 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.7 m -62.36 -42.64 99.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 1.21 110.828 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.6 m-20 -69.65 -39.91 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 1.44 110.192 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -38.89 92.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.756 -0.656 . . . . 1.22 110.352 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.64 -45.51 77.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.578 -0.737 . . . . 1.81 110.394 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.58 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.885 -0.598 . . . . 0.65 111.554 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 54' ' ' ASN . 97.6 t -70.16 -39.58 77.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.58 111.264 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.18 -46.8 6.93 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.911 0.386 . . . . 1.04 111.398 -178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.87 -2.97 82.71 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.317 -0.713 . . . . 1.23 111.317 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -117.93 158.24 25.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.567 -0.316 . . . . 1.83 111.003 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.2 t70 56.6 72.6 0.94 Allowed Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.156 0.91 . . . . 4.01 112.443 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' ALA . 73.2 Cg_endo -75.07 176.85 9.38 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 123.232 2.621 . . . . 3.94 111.883 175.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 24.7 m-85 -66.85 10.14 0.15 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.776 -0.647 . . . . 4.03 112.408 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' PRO . . . -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.333 . . . . 4.87 110.435 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -110.23 -30.54 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.125 0.488 . . . . 5.89 110.138 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.32 28.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 2.63 111.457 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.3 p -84.13 -19.13 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.184 0.516 . . . . 3.37 110.001 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.25 66.93 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.708 -0.678 . . . . 1.8 110.747 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.97 -21.02 28.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.869 -0.605 . . . . 1.51 110.543 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -72.33 -22.93 61.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 1.59 110.884 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -90.88 -10.91 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 1.94 110.309 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.3 mm -85.41 97.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.463 -0.569 . . . . 0.67 109.463 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.441 HG12 ' HG2' ' A' ' 37' ' ' ARG . 59.6 t -105.98 -60.07 3.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.057 -0.519 . . . . 0.88 110.893 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.1 p -95.18 156.66 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.099 -0.501 . . . . 0.65 110.403 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 61.3 t -63.29 -28.88 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.094 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.66 85.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.538 -0.755 . . . . 0.36 111.586 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.85 -40.94 99.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 2.04 111.103 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.0 tp -71.45 -47.01 58.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.53 110.637 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.81 96.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.38 111.007 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.53 -31.67 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 4.06 111.034 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.54 87.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.59 111.165 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -88.36 -14.41 38.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.9 110.97 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.66 -32.01 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.72 110.893 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -87.96 24.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 2.83 111.336 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -78.72 160.82 27.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.624 -0.51 . . . . 3.59 109.624 177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.97 54.7 0.85 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.664 -0.779 . . . . 2.96 111.605 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 p -102.72 127.03 31.07 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.987 0.423 . . . . 3.59 110.31 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.44 109.44 1.2 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.864 2.376 . . . . 5.2 112.019 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 175.45 -169.16 41.89 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.609 -0.805 . . . . 6.5 112.394 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.52 142.55 40.66 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.138 2.559 . . . . 8.43 112.045 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 m -68.6 119.47 68.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 9.92 109.758 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.93 4.94 6.55 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.864 2.376 . . . . 11.69 113.703 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.4 t70 -149.4 110.86 3.43 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.164 -0.309 . . . . 12.71 110.164 177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.552 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 13.9 Cg_exo -68.31 -30.99 29.5 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.661 2.241 . . . . 13.87 112.243 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 3.8 mm? -64.74 -50.5 66.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.058 -0.519 . . . . 16.37 110.591 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -59.31 -40.87 87.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 13.44 110.942 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.25 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.072 -0.513 . . . . 14.0 110.932 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 95' ' ' PRO . 12.5 mm100 -80.19 -42.94 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.169 -0.469 . . . . 17.04 110.478 177.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -60.89 -25.7 66.9 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.097 0.475 . . . . 17.18 110.823 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -66.0 -52.62 47.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 16.96 111.048 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -90.52 -35.45 15.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 18.98 112.346 -172.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -80.69 101.07 9.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.816 0.341 . . . . 19.25 110.864 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -84.82 -13.34 51.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.315 0.579 . . . . 20.5 109.535 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -110.01 71.64 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.258 -0.883 . . . . 22.61 109.401 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.4 tp . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.405 -0.807 . . . . 22.66 110.652 -177.301 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.904 -0.479 . . . . 5.43 111.904 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 15.0 pt -134.32 151.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.063 0.459 . . . . 4.76 110.744 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 1' ' ' THR . 5.1 m-20 -75.01 131.93 77.99 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.787 -0.642 . . . . 3.49 110.641 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 2' ' ' LEU . 76.2 Cg_exo -51.52 -33.94 49.83 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.416 2.744 . . . . 2.79 112.978 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.05 -43.32 95.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.755 0.312 . . . . 4.74 111.075 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' -2' ' ' ASP . 10.4 t -83.6 -25.35 30.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.657 -0.417 . . . . 2.63 110.038 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' -1' ' ' PRO . 50.3 tp -67.4 -40.69 85.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.374 -0.376 . . . . 2.49 110.854 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.41 -38.88 85.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.181 0.515 . . . . 2.67 109.979 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -76.36 -28.94 57.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 2.94 110.633 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.62 -54.89 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 2.67 110.898 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' VAL . 8.5 p -63.93 -36.21 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 1.59 110.653 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.5 tpt -64.67 -39.3 93.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.75 110.076 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.92 -40.62 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 1.36 110.312 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.61 -44.52 93.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.893 -0.594 . . . . 2.62 110.526 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 6' ' ' VAL . 87.0 t -66.99 -43.56 89.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.958 -0.565 . . . . 1.39 110.879 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HA ' HG22 ' A' ' 14' ' ' VAL . 83.7 t80 -61.63 -42.33 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.558 -0.292 . . . . 0.65 110.797 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.94 -36.56 84.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.55 110.506 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.59 -53.39 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 1.37 110.607 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 11' ' ' PHE . 34.3 m -62.17 -34.56 64.36 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-O 120.538 0.208 . . . . 1.08 110.871 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.59 -44.81 95.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.094 0.473 . . . . 1.09 110.328 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 11.1 t-160 -74.57 -38.5 62.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.933 -0.576 . . . . 2.01 110.825 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.04 -45.64 92.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 1.54 110.812 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.79 -42.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.42 -0.355 . . . . 0.45 110.391 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.37 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.51 111.224 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 14.5 mm100 -69.55 -43.99 71.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 2.35 110.746 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.81 -49.22 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.441 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.43 -38.6 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.386 -0.37 . . . . 1.67 111.087 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.32 -43.6 96.67 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.963 -0.637 . . . . 0.94 112.258 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.61 70.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.064 0.459 . . . . 1.19 110.925 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -67.69 -27.51 66.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.792 -0.64 . . . . 3.21 110.741 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.12 19.08 54.44 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.742 -0.663 . . . . 1.22 111.744 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.47 166.0 29.04 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.896 -0.668 . . . . 1.1 112.084 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.25 137.53 26.13 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.879 2.386 . . . . 1.64 111.807 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.8 pp -63.77 146.03 54.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 2.51 110.572 178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.4 164.28 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.837 0.351 . . . . 1.34 111.326 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 102.72 14.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.916 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.5 p -90.11 122.17 41.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 1.31 111.438 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -110.39 169.95 8.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.343 -0.844 . . . . 2.05 109.762 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.1 tp -70.36 -38.87 75.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.885 0.374 . . . . 0.7 110.753 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -91.86 14.35 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 2.28 110.853 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.1 t -79.2 144.15 34.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.957 0.408 . . . . 1.17 110.746 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -89.59 133.28 34.69 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.75 -0.659 . . . . 3.15 109.845 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 51.2 m-85 -57.93 -39.03 77.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.149 -0.932 . . . . 0.54 112.411 -173.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.0 m -69.7 -25.64 63.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.24 . . . . 1.63 111.337 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.54 -24.92 45.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.305 0.574 . . . . 2.2 109.784 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.37 -15.33 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 1.44 110.561 176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.75 -6.79 25.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.698 -0.763 . . . . 0.56 112.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.74 104.18 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.189 -0.3 . . . . 1.09 110.189 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -78.03 -176.57 4.6 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.659 -0.497 . . . . 1.66 109.659 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.8 t -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.782 0.325 . . . . 1.55 110.886 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.5 tp -69.49 -43.39 73.23 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.243 -0.435 . . . . 2.22 110.942 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.28 -44.38 95.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.317 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 tp -60.12 -44.04 95.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 1.42 110.556 178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.38 86.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.13 0.49 . . . . 0.63 110.613 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -64.16 -41.97 96.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.6 110.436 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.43 -49.45 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.785 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 65.9 mt -58.54 -49.06 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.72 111.112 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.7 m -57.99 -40.22 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 1.21 111.318 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.492 ' O ' HG23 ' A' ' 58' ' ' VAL . 20.9 m-80 -72.84 -42.55 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.429 -0.351 . . . . 1.44 111.007 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.26 -40.69 96.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 1.22 110.574 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.06 -43.4 82.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 1.81 110.45 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.36 73.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.65 111.349 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ASN . 74.6 t -58.66 -49.23 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.58 110.746 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.79 -38.51 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.183 -0.462 . . . . 1.04 110.976 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.15 38.7 95.57 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.772 -0.728 . . . . 1.23 112.016 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.9 t -156.82 -177.62 6.75 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.005 -0.369 . . . . 1.83 110.005 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.2 109.73 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.456 0 O-C-N 124.391 1.057 . . . . 4.01 111.645 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.1 115.45 3.64 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.266 1.978 . . . . 3.94 110.12 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -81.52 10.87 5.18 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.125 0.488 . . . . 4.03 111.123 -171.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.08 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 4.87 111.004 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.6 -40.83 17.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.358 -0.383 . . . . 5.89 111.133 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -100.76 26.93 6.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.383 -0.371 . . . . 2.63 111.065 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.0 p -70.03 -15.25 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 3.37 111.152 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.46 98.74 0.37 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.157 -0.474 . . . . 1.8 110.79 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.4 -21.18 26.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 1.51 110.731 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -66.63 -25.66 66.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 1.59 111.28 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -86.79 -9.85 54.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.231 -0.44 . . . . 1.94 110.345 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 mm -97.09 89.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.791 -0.448 . . . . 0.67 109.791 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.97 -42.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.18 -0.464 . . . . 0.88 110.547 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 p -107.36 159.64 16.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.14 -0.482 . . . . 0.65 110.845 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 98.8 t -54.28 -43.0 59.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.894 0.378 . . . . 0.6 110.617 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.0 58.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.446 -0.797 . . . . 0.36 112.085 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -61.12 -50.96 71.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.021 0.438 . . . . 2.04 110.768 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.4 tp -75.1 -37.17 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.53 110.607 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.69 -49.78 71.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.064 -0.516 . . . . 0.38 111.348 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 11.7 ptm180 -68.11 -19.24 64.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.536 -0.302 . . . . 4.06 111.167 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.12 73.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.59 110.528 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -84.77 -22.29 29.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.9 111.084 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 81' ' ' ARG . . . -72.88 -8.24 54.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.72 110.674 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.32 -35.14 75.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.554 -0.748 . . . . 2.83 110.497 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -76.31 146.22 39.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 3.59 109.819 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.33 5.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.956 -0.64 . . . . 2.96 111.57 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.33 140.8 85.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.719 -0.24 . . . . 3.59 110.503 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.15 109.37 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.345 2.03 . . . . 5.2 111.663 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -102.3 -178.15 27.49 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.747 -0.66 . . . . 6.5 112.123 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.41 119.85 7.0 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.751 2.301 . . . . 8.43 112.302 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 p -100.36 126.65 35.33 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.925 -0.579 . . . . 9.92 110.4 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.75 -33.9 51.94 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.417 2.745 . . . . 11.69 113.23 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.03 116.3 51.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.785 0.326 . . . . 12.71 110.573 177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.77 -8.49 13.4 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.897 2.398 . . . . 13.87 113.498 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.54 -51.36 7.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.599 -0.519 . . . . 16.37 109.599 -175.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.7 -15.83 61.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.243 0.544 . . . . 13.44 109.824 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.9 -30.06 58.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.615 -0.72 . . . . 14.0 110.445 176.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -82.12 -49.12 10.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.264 0.554 . . . . 17.04 109.594 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.5 mt -86.84 71.63 10.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.516 -0.765 . . . . 17.18 109.9 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.03 -28.84 65.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.934 -0.576 . . . . 16.96 111.094 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -98.41 -10.79 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 18.98 110.653 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 35.2 tp -136.73 52.36 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 19.25 110.646 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.87 145.09 55.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 20.5 110.221 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.48 102.43 11.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.718 0.77 . . . . 22.61 110.307 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.413 -0.812 . . . . 22.66 110.071 -178.06 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.911 -0.476 . . . . 5.43 111.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -105.5 137.24 36.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.559 0.218 . . . . 4.76 110.613 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.657 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 9.1 m-20 -82.49 119.18 74.18 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.371 -0.603 . . . . 3.49 109.371 175.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.43 -30.84 75.22 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.849 2.366 . . . . 2.79 112.351 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -69.82 -49.13 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 4.74 110.867 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.657 ' OG1' ' HB2' ' A' ' -2' ' ' ASP . 27.5 p -73.51 -34.19 65.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.758 0.313 . . . . 2.63 110.642 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.8 -39.41 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 2.49 110.413 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -60.14 -36.73 78.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 2.67 110.113 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -78.92 -32.89 45.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 2.94 110.854 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.19 -50.2 66.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.361 . . . . 2.67 110.569 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.58 -28.94 45.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.944 0.402 . . . . 1.59 110.223 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.6 tpt -71.78 -39.71 69.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.02 -0.536 . . . . 0.75 109.841 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -36.72 82.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.707 -0.679 . . . . 1.36 110.276 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.87 -49.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 2.62 111.648 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.51 -34.73 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.816 -0.354 . . . . 1.39 110.393 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.469 ' HA ' HG22 ' A' ' 14' ' ' VAL . 92.3 t80 -65.96 -41.51 91.11 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.65 110.056 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -57.86 -38.57 75.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.55 110.576 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -66.25 -53.95 30.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.792 -0.64 . . . . 1.37 110.661 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 11' ' ' PHE . 33.1 m -66.11 -32.62 58.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.638 -0.255 . . . . 1.08 111.003 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.04 -50.92 71.78 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.228 0.537 . . . . 1.09 109.885 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -65.47 -37.99 88.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.535 -0.757 . . . . 2.01 110.439 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.7 tp60 -61.78 -45.61 93.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.13 -0.486 . . . . 1.54 110.363 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' VAL . 96.8 mt -62.1 -43.06 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.525 . . . . 0.45 110.365 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.65 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 0.51 111.049 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -62.93 -41.68 99.55 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.386 -0.37 . . . . 2.35 110.774 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 17' ' ' GLN . 65.0 t -65.26 -44.96 94.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.69 110.437 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 89.9 mt -59.92 -44.12 94.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.67 110.416 177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.57 -37.29 94.53 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.726 -0.67 . . . . 0.94 112.188 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.83 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 1.19 110.958 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -74.65 -14.97 60.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 3.21 110.855 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.46 23.04 74.41 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.84 -0.695 . . . . 1.22 111.877 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.19 171.26 28.12 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.826 -0.702 . . . . 1.1 111.95 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.09 143.19 43.86 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.819 2.346 . . . . 1.64 111.795 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.3 109.32 3.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.268 -0.424 . . . . 2.51 110.07 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 m -81.81 172.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.886 -0.597 . . . . 1.34 110.831 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.42 106.34 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.352 -0.385 . . . . 0.98 110.812 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -101.16 115.11 42.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.39 0.614 . . . . 1.31 110.651 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' H ' ' HB2' ' A' ' 36' ' ' SER . 46.1 mt-10 -113.73 173.08 6.6 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.83 -0.623 . . . . 2.05 110.294 177.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -60.09 -41.01 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.871 0.323 . . . . 0.7 111.871 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.41 33.86 3.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.458 0.647 . . . . 2.28 109.927 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' HB2' ' H ' ' A' ' 33' ' ' GLU . 7.4 t -89.96 159.81 16.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.097 -0.501 . . . . 1.17 110.257 -179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' LEU . 60.9 mtm180 -106.99 126.12 51.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 3.15 110.91 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 83.9 m-85 -54.39 -36.02 63.48 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.497 -0.774 . . . . 0.54 111.185 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -56.21 -45.3 79.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.777 -0.647 . . . . 1.63 111.234 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.12 -31.13 62.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 2.2 110.715 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG . 8.0 mp -68.24 -19.77 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.791 -0.641 . . . . 1.44 111.254 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 -7.57 21.39 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.679 -0.772 . . . . 0.56 111.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.57 99.48 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.919 0.39 . . . . 1.09 109.957 -179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -85.69 -170.68 3.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.387 -0.597 . . . . 1.66 109.387 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -54.82 -48.79 72.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.991 0.367 . . . . 1.55 111.991 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.88 -41.71 82.37 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.005 0.431 . . . . 2.22 110.962 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.26 -42.42 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 1.11 109.95 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 52' ' ' ILE . 59.8 tp -62.56 -48.32 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.53 -0.759 . . . . 1.42 110.652 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.81 -36.94 70.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.049 0.452 . . . . 0.63 110.78 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.0 m -68.52 -42.94 77.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.837 -0.62 . . . . 0.6 110.399 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.8 -37.8 83.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.91 -0.586 . . . . 0.44 110.67 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 48' ' ' LEU . 46.2 mm -59.26 -48.54 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.72 109.985 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -59.02 -36.48 75.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 1.21 110.942 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 1.44 110.789 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.8 tp -71.03 -36.74 72.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 1.22 110.64 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -56.84 -43.07 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.916 -0.584 . . . . 1.81 109.882 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.68 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.978 -0.556 . . . . 0.65 111.651 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -74.76 -40.84 47.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.58 111.174 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -91.36 -48.96 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.971 0.36 . . . . 1.04 111.971 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.31 -10.36 71.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.935 -0.65 . . . . 1.23 111.642 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -115.6 124.24 50.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.622 -0.289 . . . . 1.83 110.829 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -157.83 93.55 2.12 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.29 -0.414 . . . . 4.01 110.604 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -93.71 116.6 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.21 2.607 . . . . 3.94 112.431 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 54.1 m-85 -73.81 5.01 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.762 0.315 . . . . 4.03 111.449 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.11 93.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.091 0.472 . . . . 4.87 109.783 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -110.77 -30.48 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.951 -0.568 . . . . 5.89 110.792 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.25 15.57 1.17 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.251 0.548 . . . . 2.63 111.519 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.621 ' HB ' ' O ' ' A' ' 64' ' ' PHE . 8.9 p -77.21 -16.12 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.3 0.572 . . . . 3.37 110.09 176.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.31 65.13 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.939 -0.573 . . . . 1.8 111.285 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 70' ' ' ILE . 14.3 mm -70.06 -31.82 49.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 1.51 110.15 176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -60.11 -31.41 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.707 -0.679 . . . . 1.59 111.062 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -78.24 -17.67 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 1.94 110.398 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.58 87.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.374 0.607 . . . . 0.67 109.832 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 58.9 t -128.87 -45.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.838 -0.801 . . . . 0.88 108.838 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 36' ' ' SER . 21.8 m -83.15 134.76 34.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.168 -0.924 . . . . 0.65 109.111 173.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 58.2 t -58.09 -36.27 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.982 -0.554 . . . . 0.6 111.356 -176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -30.96 68.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.36 111.814 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.25 -47.4 73.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.095 0.474 . . . . 2.04 109.818 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.66 -42.53 95.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.53 110.421 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.24 89.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.646 -0.706 . . . . 0.38 110.588 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -60.77 -39.71 89.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 4.06 110.774 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.01 86.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.59 111.677 -176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -90.56 -10.2 44.32 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.907 -0.317 . . . . 0.9 111.745 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.08 -23.74 26.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.685 0.279 . . . . 0.72 110.957 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.4 12.62 9.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 2.83 111.158 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.5 161.08 19.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.372 -0.376 . . . . 3.59 110.082 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.03 38.28 23.18 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.682 -0.771 . . . . 2.96 111.608 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 m -68.52 137.73 91.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.647 0.26 . . . . 3.59 111.479 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.57 109.2 1.78 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.619 2.212 . . . . 5.2 111.125 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.01 168.72 28.93 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.679 -0.772 . . . . 6.5 112.428 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.1 144.2 51.51 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.835 2.357 . . . . 8.43 111.445 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 t -77.59 119.71 78.51 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 109.959 -0.385 . . . . 9.92 109.959 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.18 -6.62 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.559 2.172 . . . . 11.69 112.369 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -117.73 97.64 50.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.554 0.692 . . . . 12.71 110.591 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -75.25 -18.08 18.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.417 2.078 . . . . 13.87 113.095 -175.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.05 -51.11 50.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.738 0.304 . . . . 16.37 110.947 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.97 -26.76 61.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 13.44 110.506 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.72 -17.82 61.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 14.0 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -90.52 -6.7 54.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.776 0.322 . . . . 17.04 111.693 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 103' ' ' LEU . 3.2 mm? 56.3 42.23 28.11 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.674 -0.694 . . . . 17.18 111.582 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -69.74 -29.97 67.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.291 0.567 . . . . 16.96 110.336 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.91 -22.18 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.376 -0.829 . . . . 18.98 110.637 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 100' ' ' LEU . 84.5 mt -108.35 5.66 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 19.25 110.762 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -87.18 -37.44 17.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.442 0.639 . . . . 20.5 109.991 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -137.05 148.56 46.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.159 -0.928 . . . . 22.61 109.933 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.737 -0.649 . . . . 22.66 109.937 179.03 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.862 -0.495 . . . . 5.43 111.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.7 85.94 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.042 0.449 . . . . 4.76 110.622 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.569 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 13.7 m-20 -71.55 152.7 93.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.937 -0.574 . . . . 3.49 110.133 175.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.19 -60.24 0.93 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.166 2.577 . . . . 2.79 113.21 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.409 . . . . 4.74 110.652 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' -2' ' ' ASP . 27.5 m -63.84 -39.77 95.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.153 -0.476 . . . . 2.63 110.869 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.46 -41.34 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 2.49 110.241 176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.78 -45.76 92.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.732 -0.667 . . . . 2.67 110.375 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -66.16 -40.83 90.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 2.94 110.573 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.35 -50.52 67.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.156 -0.475 . . . . 2.67 110.953 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.2 p -67.43 -36.64 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.885 -0.326 . . . . 1.59 110.597 -178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.86 -42.45 90.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.75 110.368 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.17 -41.56 99.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.36 110.01 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -60.51 -44.32 96.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 2.62 110.504 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 84' ' ' ALA . 91.5 t -62.8 -51.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.932 -0.577 . . . . 1.39 110.7 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -62.02 -36.17 80.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.65 110.581 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.61 -43.89 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.082 0.468 . . . . 0.55 110.418 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 51.8 tp60 -70.91 -40.52 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.545 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 10' ' ' VAL . 99.8 t -61.26 -46.2 97.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.933 -0.395 . . . . 1.08 109.933 176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -53.63 -44.78 69.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.742 -0.663 . . . . 1.09 110.5 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 56.9 t-80 -59.79 -40.8 89.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 2.01 110.889 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 9.3 mm100 -73.08 -34.32 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.512 -0.313 . . . . 1.54 110.623 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 14' ' ' VAL . 80.2 mt -65.59 -42.16 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.853 -0.425 . . . . 0.45 109.853 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.88 79.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.51 110.575 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 15.2 mm-40 -54.96 -47.38 74.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.993 -0.549 . . . . 2.35 110.42 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 61.0 t -60.34 -63.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.637 . . . . 0.69 110.988 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.04 -41.46 87.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.504 -0.316 . . . . 1.67 111.325 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -48.06 79.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.952 -0.642 . . . . 0.94 112.659 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -19.81 61.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.733 0.272 . . . . 1.19 111.733 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 31.5 mmmt -76.67 -22.03 54.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.907 0.384 . . . . 3.21 110.82 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.96 18.62 77.81 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.847 -0.615 . . . . 1.22 112.035 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.18 -153.79 30.52 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.849 -0.691 . . . . 1.1 112.479 -176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.65 131.17 12.21 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.664 2.242 . . . . 1.64 112.029 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.07 109.97 19.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.045 0.45 . . . . 2.51 110.542 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.91 162.23 3.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.915 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.98 114.54 26.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.137 -0.483 . . . . 0.98 110.364 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.14 125.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.32 0.581 . . . . 1.31 111.144 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -116.65 175.45 5.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.673 -0.694 . . . . 2.05 109.833 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.97 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.936 -0.305 . . . . 0.7 111.387 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -96.44 19.21 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.776 0.287 . . . . 2.28 111.776 -177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -70.73 129.29 38.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.043 0.449 . . . . 1.17 111.261 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.9 mtp180 -81.26 128.39 33.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.494 -0.775 . . . . 3.15 109.098 175.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -57.93 -32.85 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.54 111.81 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 p -64.22 -43.22 95.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.361 0.6 . . . . 1.63 110.784 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.48 -22.4 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.41 -0.814 . . . . 2.2 110.47 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.4 tp -78.39 -21.08 49.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.903 -0.589 . . . . 1.44 110.691 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.74 13.65 15.88 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.585 -0.817 . . . . 0.56 113.074 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.42 115.0 26.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.831 0.348 . . . . 1.09 110.121 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -77.89 175.36 10.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 1.66 109.635 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -54.99 -50.77 68.18 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.819 0.343 . . . . 1.55 110.915 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.52 -35.5 81.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 2.22 110.993 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.42 -41.68 88.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.11 110.433 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.3 tp -63.25 -45.17 92.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 1.42 110.014 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.19 87.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.63 110.907 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.2 m -65.42 -42.25 92.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.6 110.075 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.3 tp -58.71 -38.89 79.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.44 110.575 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 48' ' ' LEU . 50.8 mm -58.89 -42.95 87.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.72 110.379 177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 t -65.51 -41.76 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.268 -0.424 . . . . 1.21 110.55 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -67.52 -31.71 72.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 1.44 111.053 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.4 tp -82.9 -32.37 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 1.22 110.074 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.49 -38.0 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 1.81 110.283 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.46 -1.76 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.65 111.68 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.9 -55.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.78 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -89.57 -20.1 24.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.952 0.353 . . . . 1.04 111.952 -174.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.46 25.5 75.18 Favored Glycine 0 C--N 1.33 0.196 0 CA-C-N 116.132 -0.486 . . . . 1.23 112.852 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.7 p -131.82 145.14 51.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 1.83 111.616 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -150.09 84.32 5.84 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-O 121.628 0.728 . . . . 4.01 111.162 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -93.25 115.2 0.28 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.717 2.278 . . . . 3.94 111.666 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -105.42 10.84 33.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.604 -0.271 . . . . 4.03 111.623 -175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.88 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.946 0.403 . . . . 4.87 110.078 173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -91.98 -19.07 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 5.89 110.782 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.74 28.94 7.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 2.63 111.667 -175.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.0 p -63.65 -34.15 66.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 3.37 111.215 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -105.7 99.64 9.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.92 0.391 . . . . 1.8 110.436 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.27 -21.94 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.323 0.582 . . . . 1.51 110.388 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -71.3 -12.82 61.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 1.59 111.509 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 m -80.5 -11.32 59.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.346 . . . . 1.94 110.833 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.2 mm -83.98 91.06 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.492 -0.559 . . . . 0.67 109.492 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 48.5 t -89.55 -52.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.199 -0.455 . . . . 0.88 110.577 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -103.47 160.23 14.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.231 -0.44 . . . . 0.65 110.844 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.4 -31.39 53.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.045 0.45 . . . . 0.6 110.088 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.52 -48.03 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.616 -0.72 . . . . 0.36 112.006 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.53 -40.82 98.0 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.045 0.45 . . . . 2.04 110.793 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.84 -40.33 72.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.987 -0.551 . . . . 0.53 110.579 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.53 98.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 0.38 110.765 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 52.8 mtp180 -57.15 -41.49 79.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.156 -0.475 . . . . 4.06 110.933 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.21 82.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.59 111.131 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -81.45 -9.39 59.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.9 111.818 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.658 ' HA ' HG21 ' A' ' 10' ' ' VAL . . . -78.2 -37.92 44.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.911 0.386 . . . . 0.72 110.472 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -75.57 -28.03 58.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.075 -0.511 . . . . 2.83 110.094 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -73.22 161.33 30.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 3.59 110.677 177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.99 28.48 3.62 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.836 -0.697 . . . . 2.96 111.604 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.26 133.96 29.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.862 0.363 . . . . 3.59 110.731 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.36 109.69 0.68 Allowed 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 123.01 2.473 . . . . 5.2 111.988 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.12 2.15 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.773 -0.649 . . . . 6.5 111.703 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.97 121.49 10.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.448 2.098 . . . . 8.43 111.816 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.4 p -77.75 118.92 75.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.178 -0.464 . . . . 9.92 110.861 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.63 -33.87 53.84 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.69 2.26 . . . . 11.69 110.933 175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 t70 65.82 113.89 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.272 0 O-C-N 124.17 0.919 . . . . 12.71 111.168 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 39.8 Cg_endo -66.76 -15.01 46.09 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.731 2.287 . . . . 13.87 113.099 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.4 mt -87.82 -41.17 13.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.499 -0.556 . . . . 16.37 109.499 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.59 -38.93 92.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 13.44 110.575 177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.49 -1.03 16.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.753 -0.658 . . . . 14.0 112.103 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 95' ' ' PRO . 28.2 mt-30 -84.39 7.18 20.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.631 0.234 . . . . 17.04 111.631 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 2.6 pt? -59.8 125.74 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.998 0.428 . . . . 17.18 110.092 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 105' ' ' GLN . 10.0 tpp180 -96.25 -2.16 46.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.204 0.526 . . . . 16.96 109.963 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -54.48 -39.21 67.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.299 -0.864 . . . . 18.98 110.241 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -102.02 123.48 45.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.408 -0.814 . . . . 19.25 109.76 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 65.48 71.64 0.43 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.168 0.509 . . . . 20.5 110.904 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.523 ' HB3' ' O ' ' A' ' 101' ' ' ARG . 16.4 pt20 -104.29 -14.92 15.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 22.61 111.05 -179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.52 -0.753 . . . . 22.66 110.244 -177.457 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.542 -0.623 . . . . 5.43 111.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 38.6 pt -89.2 36.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.62 0.724 . . . . 4.76 110.313 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -73.36 114.75 34.44 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 114.797 -1.092 . . . . 3.49 110.946 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.65 -17.05 38.29 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.535 2.157 . . . . 2.79 111.404 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -67.55 -16.74 64.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.152 -0.931 . . . . 4.74 111.064 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.1 p -59.4 -29.91 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 2.63 111.167 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.86 -36.6 77.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 2.49 110.863 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -63.6 -40.6 97.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 2.67 110.18 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -77.46 -37.54 51.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 2.94 110.235 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.22 -44.97 95.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 2.67 111.122 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.35 -33.76 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.624 0.25 . . . . 1.59 110.789 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tpt -66.71 -43.87 83.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.75 110.077 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.39 -29.99 67.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.714 -0.675 . . . . 1.36 110.488 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -64.35 -53.27 51.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.822 -0.627 . . . . 2.62 110.572 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 m -67.0 -30.82 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.407 -0.36 . . . . 1.39 110.78 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' HA ' HG22 ' A' ' 14' ' ' VAL . 70.6 t80 -64.87 -40.73 95.59 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.985 0.422 . . . . 0.65 110.236 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.33 -39.1 91.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.106 0.479 . . . . 0.55 110.277 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.54 -50.82 61.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.721 -0.672 . . . . 1.37 110.835 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 18' ' ' ILE . 34.3 m -62.91 -33.31 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.098 0 C-N-CA 121.229 -0.188 . . . . 1.08 110.824 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.03 -49.99 75.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 1.09 109.888 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -63.03 -40.55 98.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.695 -0.684 . . . . 2.01 110.355 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.2 mm100 -57.44 -53.45 57.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 1.54 110.658 176.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.1 mt -58.92 -44.17 90.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 0.45 110.71 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.93 93.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.916 -0.584 . . . . 0.51 111.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -71.09 -37.86 72.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.632 -0.258 . . . . 2.35 111.233 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 17' ' ' GLN . 73.3 t -62.0 -49.55 83.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.811 0.339 . . . . 0.69 110.573 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.02 -38.35 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 1.67 110.43 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.59 -42.75 97.24 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 116.019 -0.537 . . . . 0.94 112.586 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.095 0.474 . . . . 1.19 110.523 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -72.82 -24.59 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.708 -0.678 . . . . 3.21 110.529 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.06 24.34 55.23 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.242 -0.743 . . . . 1.22 111.242 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.56 176.92 40.27 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.611 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.86 124.51 12.38 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 123.02 2.48 . . . . 1.64 112.32 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.67 109.15 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.127 -0.488 . . . . 2.51 110.218 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.2 m -90.67 152.2 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 1.34 111.277 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 97.28 7.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.591 . . . . 0.98 109.925 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -77.89 128.89 38.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.898 -0.592 . . . . 1.31 111.24 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -115.69 172.57 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.081 -0.508 . . . . 2.05 110.181 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.884 0.374 . . . . 0.7 111.922 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -100.95 18.2 20.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.633 -0.258 . . . . 2.28 111.481 -173.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 m -78.56 141.0 38.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.765 0.317 . . . . 1.17 111.069 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 98.5 mtt180 -91.68 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 3.15 109.927 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -62.84 -28.65 70.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.54 111.933 -173.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.7 p -59.98 -45.68 91.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.24 0.543 . . . . 1.63 110.712 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.3 -10.92 59.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.667 -0.697 . . . . 2.2 110.852 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 93.7 mt -88.02 -6.51 57.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.118 -0.492 . . . . 1.44 110.868 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.44 0.26 37.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.619 -0.801 . . . . 0.56 112.961 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 47' ' ' ASP . 2.7 mm? -96.89 127.55 42.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.059 -0.349 . . . . 1.09 110.059 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -93.14 -173.27 3.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.127 -0.323 . . . . 1.66 110.127 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 m -54.46 -51.29 65.47 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.053 0.39 . . . . 1.55 112.053 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.9 tp -68.61 -39.71 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.528 0.204 . . . . 2.22 110.744 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HB3' HD12 ' A' ' 43' ' ' LEU . 17.3 m-20 -59.92 -42.5 94.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 1.11 110.447 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 52' ' ' ILE . 7.3 tt -58.34 -50.47 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 1.42 109.896 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.65 97.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.63 110.809 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.7 m -62.73 -39.78 95.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.6 110.621 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.4 tp -59.88 -44.16 94.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.44 110.398 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 48' ' ' LEU . 46.2 mt -65.33 -43.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.516 . . . . 0.72 110.096 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -56.08 -41.74 75.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.882 -0.599 . . . . 1.21 110.563 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 58' ' ' VAL . 94.4 m-20 -68.46 -38.09 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.44 110.926 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.19 -35.68 71.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.413 -0.358 . . . . 1.22 110.681 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.04 -34.9 74.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 1.81 110.35 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.19 -21.56 60.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.65 111.267 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.9 t -76.65 -50.98 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.58 110.992 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -87.0 -37.2 17.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.96 0.356 . . . . 1.04 111.96 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.54 -15.4 41.29 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.243 -0.743 . . . . 1.23 111.243 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.8 p -110.4 121.59 45.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.438 . . . . 1.83 110.429 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -148.3 130.73 7.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 4.01 111.024 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -88.34 113.66 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.432 2.088 . . . . 3.94 111.812 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.17 -16.52 18.55 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 4.03 111.938 -175.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.68 -21.36 63.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.476 0.655 . . . . 4.87 109.651 176.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.44 -12.75 27.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.15 -0.932 . . . . 5.89 110.405 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.65 28.66 8.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.978 -0.555 . . . . 2.63 111.167 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.87 -44.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 3.37 110.109 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -97.21 108.69 21.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.813 -0.631 . . . . 1.8 109.893 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.7 tp -64.01 -25.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.51 110.972 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -75.1 1.78 12.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.154 -0.476 . . . . 1.59 111.572 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 m -76.3 -26.42 55.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 1.94 110.334 176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.6 mm -83.59 93.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.934 -0.575 . . . . 0.67 110.02 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 t -102.09 -53.34 7.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.511 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.8 p -107.5 168.06 9.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 0.65 111.142 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.03 -39.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.977 0.418 . . . . 0.6 110.188 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.21 -34.2 63.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.36 111.645 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.32 -41.85 89.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 2.04 110.866 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.56 -43.22 49.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.53 110.347 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -43.67 98.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.38 111.05 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 81' ' ' ARG . 39.8 ttp180 -56.51 -39.15 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 4.06 111.462 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.59 111.421 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -90.35 -12.16 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.33 -0.395 . . . . 0.9 111.256 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.57 -39.46 37.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.72 110.044 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -96.12 19.23 12.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 2.83 110.831 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -66.16 146.9 54.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.827 0.346 . . . . 3.59 110.107 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.3 -4.35 37.9 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.308 -0.717 . . . . 2.96 111.308 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.3 p -65.23 131.68 95.11 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 120.845 0.355 . . . . 3.59 110.53 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.63 108.8 0.92 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.806 2.337 . . . . 5.2 111.856 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.43 81.92 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.761 -0.654 . . . . 6.5 111.771 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.56 149.91 39.63 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.529 2.153 . . . . 8.43 111.725 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 m -74.64 123.49 89.09 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.321 -0.4 . . . . 9.92 109.973 178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -62.01 -25.82 78.03 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.808 2.339 . . . . 11.69 112.404 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -83.43 122.4 77.02 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.426 . . . . 12.71 110.122 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.28 -15.99 35.26 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.358 2.039 . . . . 13.87 111.764 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 24.9 mt -80.05 -20.2 45.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.465 -0.788 . . . . 16.37 110.529 -178.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.65 -59.21 5.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.932 -0.576 . . . . 13.44 111.106 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -80.14 -19.19 47.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.342 -0.39 . . . . 14.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.35 -39.97 94.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 17.04 110.877 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.2 mt -67.04 -18.94 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.889 0.376 . . . . 17.18 111.258 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 101' ' ' ARG . 51.2 mtt85 -94.39 -7.86 40.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.134 0.493 . . . . 16.96 110.16 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -98.82 -36.28 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.643 . . . . 18.98 109.485 177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.22 128.4 35.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.596 -0.729 . . . . 19.25 110.35 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -90.42 39.38 0.97 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.119 0.485 . . . . 20.5 109.891 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -115.66 5.88 14.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.92 -0.582 . . . . 22.61 110.786 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.9 tp . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.702 -0.666 . . . . 22.66 109.974 -178.435 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.92 -0.472 . . . . 5.43 111.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 17.0 pt -99.83 124.66 53.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 4.76 110.692 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -71.37 157.61 89.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.788 -0.642 . . . . 3.49 109.739 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.0 -42.38 15.77 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.899 2.399 . . . . 2.79 112.286 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -55.9 -54.05 49.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.517 -0.765 . . . . 4.74 111.23 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 1.2 p -78.41 -21.33 49.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.63 111.426 -178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.33 -41.46 93.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.421 . . . . 2.49 110.653 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 7' ' ' MET . 50.2 m-80 -69.74 -25.86 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 2.67 110.432 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -79.6 -33.64 41.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.215 -0.448 . . . . 2.94 110.244 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 1' ' ' THR . 87.0 mm-40 -63.32 -53.19 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 2.67 110.732 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 12.0 p -65.78 -27.39 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 1.59 110.484 178.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 12.4 tpt -74.21 -34.19 63.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.75 110.46 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.74 -29.14 58.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.52 . . . . 1.36 109.705 175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 41.3 tt0 -58.41 -56.87 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.499 -0.773 . . . . 2.62 110.411 174.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.72 -31.19 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.19 -0.459 . . . . 1.39 110.626 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.3 . . . . 0.65 110.811 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.35 -36.93 81.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.159 0.504 . . . . 0.55 109.982 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.515 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 61.2 tp60 -62.45 -55.15 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 1.37 110.793 177.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' ILE . 28.3 m -67.8 -33.62 62.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.612 -0.267 . . . . 1.08 111.355 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.14 -46.99 87.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.922 0.392 . . . . 1.09 110.096 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -62.7 -39.2 93.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.769 -0.65 . . . . 2.01 110.199 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 21' ' ' VAL . 88.2 mm-40 -66.54 -44.73 81.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.904 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 14' ' ' VAL . 82.6 mt -62.49 -46.39 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.45 110.416 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.21 -32.84 73.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.51 110.84 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -68.05 -48.97 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 2.35 110.543 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.5 t -58.19 -47.59 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.69 110.799 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.26 -44.56 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.67 110.772 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -38.1 89.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.158 -0.544 . . . . 0.94 112.647 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.33 77.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.043 0.449 . . . . 1.19 110.715 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.83 -40.51 63.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.011 -0.54 . . . . 3.21 109.773 176.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 15.75 7.79 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.919 -0.658 . . . . 1.22 112.412 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.04 172.91 29.92 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.87 -0.681 . . . . 1.1 112.067 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.04 146.55 41.6 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.615 2.21 . . . . 1.64 111.74 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.46 107.97 9.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.1 0.476 . . . . 2.51 109.988 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -79.49 150.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.56 -0.745 . . . . 1.34 110.126 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.94 108.16 3.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.059 -0.519 . . . . 0.98 110.214 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.49 119.8 26.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.032 -0.531 . . . . 1.31 110.654 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 31.3 mt-10 -120.38 145.37 47.24 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.858 -0.793 . . . . 2.05 108.858 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -71.87 -24.0 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.305 -0.407 . . . . 0.7 111.694 -171.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -98.85 5.75 47.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.309 0.575 . . . . 2.28 110.153 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 34.3 t -83.94 160.95 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.012 -0.54 . . . . 1.17 110.181 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 37' ' ' ARG . 46.9 mtm180 -103.55 140.76 37.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.006 -0.543 . . . . 3.15 110.111 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 96.3 m-85 -61.53 -41.54 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.54 111.283 -176.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 21.0 t -69.66 -22.2 63.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.263 -0.426 . . . . 1.63 110.415 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.7 -33.99 34.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.103 0.478 . . . . 2.2 110.181 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.58 -18.66 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.664 -0.698 . . . . 1.44 111.07 177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.98 3.8 17.33 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.631 -0.795 . . . . 0.56 112.661 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 39' ' ' SER . 3.0 mm? -87.04 115.2 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.31 -0.626 . . . . 1.09 109.31 176.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 t -76.49 -177.91 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.925 -0.398 . . . . 1.66 109.925 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -52.38 -51.23 60.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.393 -0.367 . . . . 1.55 111.551 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.66 -41.71 87.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 2.22 110.625 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 43' ' ' LEU . 67.7 m-20 -59.54 -41.28 89.71 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.978 -0.555 . . . . 1.11 110.509 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.8 tt -59.63 -49.08 79.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.762 -0.653 . . . . 1.42 109.881 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.63 111.239 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.2 m -65.8 -38.63 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.653 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . 66.0 tp -62.03 -40.0 94.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.44 110.282 177.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 48' ' ' LEU . 60.1 mt -58.94 -45.96 91.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.72 110.099 175.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 t -64.85 -22.79 67.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 1.21 111.009 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.2 m-20 -67.38 -47.01 71.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.189 -0.301 . . . . 1.44 110.189 176.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.14 -34.04 76.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.44 -0.345 . . . . 1.22 110.249 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.04 -49.2 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.759 -0.655 . . . . 1.81 110.366 172.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.65 111.337 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 54' ' ' ASN . 92.1 t -60.04 -56.84 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.58 111.417 -179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 83' ' ' TYR . 94.5 m-85 -80.39 -15.04 57.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.893 0.378 . . . . 1.04 111.631 -175.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.47 24.48 69.37 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.872 -0.891 . . . . 1.23 110.872 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 3.1 m -147.69 142.3 26.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.959 -0.62 . . . . 1.83 109.61 -173.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 61' ' ' THR . 29.9 t70 169.32 104.6 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 124.218 0.949 . . . . 4.01 110.635 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -89.18 115.79 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.019 2.479 . . . . 3.94 110.475 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.84 -2.71 24.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.063 0.459 . . . . 4.03 110.906 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.084 -0.507 . . . . 4.87 110.006 172.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -84.16 -35.77 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 5.89 110.56 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.61 28.71 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 2.63 110.648 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.35 -24.25 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.668 -0.696 . . . . 3.37 111.138 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.11 91.54 3.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.927 0.394 . . . . 1.8 110.731 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tp -63.42 -30.7 50.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.91 -0.586 . . . . 1.51 110.862 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.9 p -68.23 -16.72 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.049 -0.523 . . . . 1.59 111.976 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.3 m -79.17 -15.38 58.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 1.94 111.1 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.04 89.67 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.142 0.496 . . . . 0.67 109.697 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.0 -60.24 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.021 -0.536 . . . . 0.88 110.794 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -111.27 170.62 7.99 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.227 -0.442 . . . . 0.65 111.522 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 t -61.36 -40.06 84.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.576 -0.284 . . . . 0.6 110.859 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.44 56.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.36 112.209 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.06 -53.82 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 2.04 110.387 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.7 tp -69.77 -33.43 72.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.681 -0.691 . . . . 0.53 110.751 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.4 -51.89 65.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.38 111.004 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -62.27 -32.74 73.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.854 0.359 . . . . 4.06 110.719 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.98 15.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.59 111.042 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 38.5 m-85 -79.58 -9.53 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.097 0.406 . . . . 0.9 112.097 -177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.56 61.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.72 110.236 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -105.67 -24.53 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.958 -0.564 . . . . 2.83 111.246 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -90.26 122.69 33.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.805 0.336 . . . . 3.59 111.302 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 29.26 12.96 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.728 -0.749 . . . . 2.96 112.541 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.91 121.62 2.97 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.464 0.649 . . . . 3.59 111.649 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.19 108.44 2.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.096 2.531 . . . . 5.2 111.573 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.83 -148.5 6.31 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.643 -0.789 . . . . 6.5 111.684 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.23 129.6 32.31 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.559 2.173 . . . . 8.43 111.56 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.1 m -86.33 129.05 54.93 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 110.086 -0.338 . . . . 9.92 110.086 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.09 -13.93 39.45 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.695 2.263 . . . . 11.69 112.382 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 96' ' ' LEU . 11.8 t70 -149.06 124.99 5.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 12.71 109.748 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -66.02 -22.23 55.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.901 2.401 . . . . 13.87 113.541 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 7.1 mp -77.68 -44.52 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.553 -0.536 . . . . 16.37 109.553 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -68.79 -23.82 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 13.44 110.401 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 14.0 110.3 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.98 -25.72 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 17.04 110.47 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 103' ' ' LEU . 95.5 mt -66.9 -19.93 65.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 17.18 110.67 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -82.51 -0.94 48.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 16.96 110.74 -179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.72 -18.17 25.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 18.98 110.546 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 100' ' ' LEU . 3.2 mm? -80.42 86.2 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 19.25 110.699 -178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -122.86 158.04 31.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.974 -0.38 . . . . 20.5 109.974 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 61.89 75.2 0.41 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.256 0.551 . . . . 22.61 110.329 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.524 -0.762 . . . . 22.66 110.148 -177.777 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.782 -0.527 . . . . 5.43 111.782 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 29.2 mt -86.49 63.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.65 0.738 . . . . 4.76 109.254 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.439 ' HB2' HG22 ' A' ' 1' ' ' THR . 17.8 m-20 -80.54 114.42 47.5 Favored Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 115.116 -0.947 . . . . 3.49 109.911 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.53 -27.51 76.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.934 2.423 . . . . 2.79 112.752 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -67.68 -54.83 16.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.587 -0.279 . . . . 4.74 110.995 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 15.1 t -67.02 -34.91 78.76 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.541 -0.464 . . . . 2.63 110.578 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.36 -40.5 96.62 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.915 0.388 . . . . 2.49 110.469 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -63.87 -41.84 97.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.875 -0.602 . . . . 2.67 110.047 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -64.66 -42.5 95.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 2.94 111.156 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 1' ' ' THR . 55.8 mt-30 -61.04 -47.5 86.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 2.67 111.349 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.68 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 1.59 110.418 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.8 tpt -69.92 -43.57 71.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.05 0.453 . . . . 0.75 110.187 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.89 -28.58 69.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.174 0.511 . . . . 1.36 110.214 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.12 -50.42 48.21 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.803 -0.635 . . . . 2.62 110.681 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.46 -35.96 64.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 1.39 110.696 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' HG22 ' A' ' 14' ' ' VAL . 80.7 t80 -61.74 -42.01 98.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.65 110.143 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.99 -42.5 90.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.55 110.558 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.506 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.7 tp-100 -69.87 -48.24 59.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 1.37 111.152 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 18' ' ' ILE . 33.1 m -63.89 -37.49 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.718 -0.393 . . . . 1.08 110.737 -178.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.53 -43.01 98.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.283 0.564 . . . . 1.09 109.606 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -57.45 -38.58 74.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.078 -0.964 . . . . 2.01 110.744 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.5 mm100 -72.34 -43.5 64.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.391 -0.368 . . . . 1.54 110.689 178.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 14' ' ' VAL . 88.6 mt -59.88 -44.29 93.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.353 -0.385 . . . . 0.45 110.561 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.883 -0.599 . . . . 0.51 111.204 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.29 -42.71 83.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 2.35 111.148 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 17' ' ' GLN . 87.9 t -63.98 -48.32 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.69 110.685 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.71 -44.06 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 1.67 110.527 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.53 -41.81 99.64 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.454 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -28.34 67.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 1.19 111.353 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -89.21 -12.71 40.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.297 . . . . 3.21 111.393 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.52 34.11 32.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.782 -0.723 . . . . 1.22 111.721 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 164.16 29.35 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.175 -0.536 . . . . 1.1 112.017 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.82 144.47 24.53 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.642 2.228 . . . . 1.64 112.508 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.35 109.5 7.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.422 -0.585 . . . . 2.51 109.422 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG21 ' HG ' ' A' ' 41' ' ' LEU . 27.6 m -110.29 165.06 6.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.789 -0.641 . . . . 1.34 111.1 -175.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.62 89.21 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.102 -0.499 . . . . 0.98 110.261 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.92 114.27 21.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.924 -0.58 . . . . 1.31 111.326 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -105.34 173.68 6.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.777 -0.647 . . . . 2.05 110.036 177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.8 tp -66.77 -36.39 77.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.838 0.351 . . . . 0.7 111.336 -176.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -91.26 11.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.691 0.281 . . . . 2.28 111.566 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m -80.12 133.0 36.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.988 0.423 . . . . 1.17 111.229 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 68.3 mtm180 -79.96 136.15 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 3.15 109.687 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 63.2 m-85 -60.78 -27.09 67.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.708 -0.678 . . . . 0.54 111.371 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -59.82 -45.44 92.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 1.63 110.951 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 31.3 m-20 -67.28 -36.53 81.76 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.91 0.386 . . . . 2.2 111.075 -175.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' HG ' HG21 ' A' ' 30' ' ' VAL . 10.7 mp -75.27 -21.3 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.008 -0.542 . . . . 1.44 111.737 -174.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.02 31.94 3.2 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.401 -0.904 . . . . 0.56 112.64 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.0 mm? -113.79 123.56 50.13 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.763 -0.458 . . . . 1.09 109.763 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.4 p -99.8 -172.56 2.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.859 -0.423 . . . . 1.66 109.859 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -60.82 -40.77 94.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.909 0.385 . . . . 1.55 110.485 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.9 -38.89 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.261 -0.427 . . . . 2.22 110.583 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.547 ' HB3' HD12 ' A' ' 43' ' ' LEU . 15.6 m-20 -63.96 -44.59 92.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.11 109.887 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.3 -40.38 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.835 -0.62 . . . . 1.42 110.843 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.26 83.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.63 110.276 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.0 m -66.45 -42.76 87.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.298 -0.41 . . . . 0.6 110.563 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.7 tp -58.22 -51.73 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.44 111.278 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.7 -36.46 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.39 . . . . 0.72 110.791 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -62.04 -39.66 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.012 0.434 . . . . 1.21 110.471 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' VAL . 95.9 m-20 -65.49 -41.15 93.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 1.44 110.519 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.824 -0.626 . . . . 1.22 110.397 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 61' ' ' THR . 25.8 tt0 -57.08 -47.55 80.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.105 173.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -10.86 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.65 111.611 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 54' ' ' ASN . 88.9 t -80.48 -55.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.494 -0.321 . . . . 0.58 110.652 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -92.86 -26.81 17.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 1.04 111.978 -174.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.91 13.24 72.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.836 -0.697 . . . . 1.23 111.482 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 5.4 p -90.24 -176.75 4.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.849 0.357 . . . . 1.83 111.307 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -92.05 134.8 28.04 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.081 0.467 . . . . 4.01 111.35 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.28 156.72 19.61 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.464 2.776 . . . . 3.94 112.939 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.674 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 88.8 m-85 -88.63 5.67 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 4.03 111.816 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.506 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . . . -66.23 -43.1 87.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.082 0.468 . . . . 4.87 110.885 -178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -110.09 -21.62 12.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.883 -0.599 . . . . 5.89 110.732 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 64' ' ' PHE . . . -64.37 -69.56 0.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.809 -0.632 . . . . 2.63 111.862 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.0 t -110.25 -72.33 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.853 -0.339 . . . . 3.37 111.144 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.28 122.7 0.29 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.897 -0.592 . . . . 1.8 110.047 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 12.7 tt -79.37 -17.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.619 0.723 . . . . 1.51 109.725 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.2 p -75.49 -13.85 60.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.285 -0.871 . . . . 1.59 110.854 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -85.57 -9.71 56.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.807 -0.633 . . . . 1.94 110.223 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm -83.49 89.55 2.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.654 -0.498 . . . . 0.67 109.654 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -88.11 -59.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.824 -0.625 . . . . 0.88 110.772 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.8 p -110.68 170.11 8.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.65 111.015 -177.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.95 -38.16 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.67 -0.493 . . . . 0.6 109.67 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -51.3 -45.34 62.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.276 -0.875 . . . . 0.36 111.728 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -60.04 -44.72 94.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 2.04 111.091 -176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.7 tp -76.56 -43.82 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.53 111.02 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.28 80.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.38 111.107 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -64.57 -38.37 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 4.06 110.323 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HB1' ' CZ ' ' A' ' 64' ' ' PHE . . . -57.04 -53.97 51.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.59 110.975 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -74.08 -10.58 59.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.792 0.293 . . . . 0.9 111.792 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.49 31.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.187 0.517 . . . . 0.72 110.213 174.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -95.93 -3.88 44.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 2.83 110.779 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 17.0 mm100 -90.5 142.98 27.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.712 0.291 . . . . 3.59 110.32 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.72 4.89 89.52 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.022 -0.608 . . . . 2.96 112.718 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.9 m -84.46 147.73 50.47 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 122.723 -0.28 . . . . 3.59 110.518 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.49 121.97 9.32 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.603 2.202 . . . . 5.2 111.513 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.91 171.2 31.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.926 -0.655 . . . . 6.5 112.397 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 128.94 30.85 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.91 2.407 . . . . 8.43 112.167 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.9 m -70.0 124.18 90.19 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.847 -0.615 . . . . 9.92 111.306 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.08 -18.98 11.01 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.675 2.25 . . . . 11.69 112.078 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 4.8 p-10 -74.36 138.2 74.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.906 -0.588 . . . . 12.71 110.645 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 94' ' ' ASP . 19.9 Cg_exo -66.24 -8.21 19.71 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.088 2.525 . . . . 13.87 112.444 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.78 -33.64 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.794 -0.447 . . . . 16.37 109.794 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 33.5 t70 -63.66 -48.19 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 13.44 110.426 175.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.29 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 14.0 110.583 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.596 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 57.8 tp60 -59.18 -47.63 84.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 17.04 110.376 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.21 -37.53 83.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 17.18 110.812 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 97' ' ' ASP . 73.3 mtt180 -62.52 -39.82 94.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 16.96 110.817 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.62 -25.12 62.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 18.98 110.78 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 99' ' ' GLN . 84.9 mt -78.75 -6.48 55.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 19.25 110.819 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -80.66 105.49 11.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 20.5 109.92 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.84 -14.85 38.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.049 -0.523 . . . . 22.61 110.118 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.722 -0.656 . . . . 22.66 110.038 178.661 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.125 -0.39 . . . . 5.43 112.125 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 56.4 mt -93.57 89.66 2.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.111 0.481 . . . . 4.76 109.848 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.86 155.73 82.84 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.68 -0.691 . . . . 3.49 110.92 -177.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.26 -55.92 3.62 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.078 2.519 . . . . 2.79 113.374 -175.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -62.9 -42.32 99.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.661 0.267 . . . . 4.74 111.476 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 25.7 p -69.61 -28.24 65.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.754 0.311 . . . . 2.63 110.626 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.55 -40.55 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.416 . . . . 2.49 110.002 174.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.84 -43.67 98.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.959 -0.564 . . . . 2.67 109.934 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -68.09 -33.77 75.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 2.94 110.481 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 58.1 tp60 -61.94 -57.36 12.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 2.67 110.834 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.43 -31.03 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 1.59 110.623 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.429 ' HA ' HG12 ' A' ' 10' ' ' VAL . 12.7 tpt -73.41 -36.91 66.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.75 110.765 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.68 -35.17 74.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.471 . . . . 1.36 109.753 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 15.7 mm100 -66.25 -48.97 68.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.63 -0.714 . . . . 2.62 111.165 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 84' ' ' ALA . 10.3 p -68.16 -34.73 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 110.374 -0.232 . . . . 1.39 110.374 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.48 ' HA ' HG22 ' A' ' 14' ' ' VAL . 93.5 t80 -60.54 -43.62 96.99 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.006 0.431 . . . . 0.65 110.015 175.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -38.69 76.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.657 -0.701 . . . . 0.55 110.798 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.2 tp-100 -72.65 -50.8 22.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 1.37 110.87 -178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 11' ' ' PHE . 31.1 m -65.08 -32.77 59.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.633 -0.258 . . . . 1.08 110.83 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.27 -46.07 83.45 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.111 0.481 . . . . 1.09 109.991 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 20.5 t-80 -61.82 -39.87 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 2.01 110.083 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 63.4 mm-40 -65.91 -47.16 75.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.54 110.307 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 85.6 mt -59.87 -44.85 95.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.142 -0.481 . . . . 0.45 110.516 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.07 80.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.853 -0.612 . . . . 0.51 111.122 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 56.3 mt-30 -68.14 -40.84 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 2.35 110.78 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 17' ' ' GLN . 93.1 t -64.08 -50.87 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.458 -0.337 . . . . 0.69 110.604 178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.53 -42.62 96.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.67 110.507 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.51 -44.28 96.86 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.013 -0.613 . . . . 0.94 112.597 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.82 -36.52 75.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.743 0.275 . . . . 1.19 111.743 -177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -78.83 -19.02 53.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.137 0.494 . . . . 3.21 111.001 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.04 48.25 3.39 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.745 -0.74 . . . . 1.22 111.962 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.08 160.23 14.23 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.676 -0.57 . . . . 1.1 111.676 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.8 138.07 33.74 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.544 2.163 . . . . 1.64 112.436 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.1 109.58 12.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.882 -0.599 . . . . 2.51 109.48 177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.5 m -103.2 171.99 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.034 -0.53 . . . . 1.34 111.348 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.11 92.77 6.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 0.98 110.87 -178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.32 130.98 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 1.31 110.985 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -118.78 177.77 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 2.05 110.399 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.1 -38.88 81.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.891 0.377 . . . . 0.7 111.092 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -103.78 32.43 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.53 0.681 . . . . 2.28 110.909 -176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.8 m -88.79 138.67 31.21 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.088 -0.382 . . . . 1.17 110.156 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 66.6 mtm180 -90.85 135.66 33.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.072 0.463 . . . . 3.15 109.785 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 88.7 m-85 -58.64 -42.35 88.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.54 111.463 -175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 37.7 m -61.33 -33.31 73.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.899 0.38 . . . . 1.63 110.995 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.07 -27.43 57.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 2.2 110.485 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 90.2 mt -76.78 -7.69 55.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 1.44 111.057 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.33 21.33 15.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.767 -0.73 . . . . 0.56 111.861 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 39' ' ' SER . 42.9 mt -107.36 125.97 51.88 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.072 -0.344 . . . . 1.09 110.072 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.7 p -97.65 -172.93 2.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.858 -0.423 . . . . 1.66 109.858 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -35.46 77.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.061 0.458 . . . . 1.55 109.863 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.5 mp -64.31 -44.74 90.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.766 -0.652 . . . . 2.22 110.037 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB3' HD22 ' A' ' 43' ' ' LEU . 9.3 m-20 -62.49 -44.26 96.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.226 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 71.1 mt -58.85 -43.34 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.42 110.777 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.632 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 m -71.34 -47.18 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.147 -0.479 . . . . 0.6 110.637 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.3 tp -58.35 -50.38 73.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.44 111.702 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.36 -43.11 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.549 -0.296 . . . . 0.72 110.812 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.2 m -68.24 -29.49 68.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.175 0.512 . . . . 1.21 110.776 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -71.49 -45.76 61.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.08 -0.509 . . . . 1.44 110.145 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.4 tp -65.75 -31.64 72.73 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.202 0.525 . . . . 1.22 110.036 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -61.66 -32.15 72.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 1.81 110.714 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.96 -18.99 60.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.824 0.345 . . . . 0.65 110.712 178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -82.52 -59.81 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.58 111.17 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -89.07 -50.13 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.03 0.443 . . . . 1.04 111.477 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.08 14.16 80.99 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.845 -0.616 . . . . 1.23 113.239 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 23.2 p -135.57 115.58 13.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.863 0.332 . . . . 1.83 111.29 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.9 t70 175.94 121.69 0.14 Allowed Pre-proline 0 C--N 1.329 -0.283 0 O-C-N 123.887 0.742 . . . . 4.01 110.48 177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -73.72 114.74 4.11 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.194 1.929 . . . . 3.94 110.312 171.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -81.28 3.21 24.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.878 0.37 . . . . 4.03 111.496 -170.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.14 -27.14 67.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 4.87 110.59 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -73.09 -40.65 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 5.89 110.431 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.67 28.61 3.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.152 -0.476 . . . . 2.63 111.165 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.69 -26.76 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.192 0.52 . . . . 3.37 109.957 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -105.87 108.11 19.45 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.723 -0.672 . . . . 1.8 109.275 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.64 -19.43 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 1.51 111.209 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 p -66.61 -13.83 61.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 1.59 112.024 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.9 p -79.47 -25.83 41.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.078 0.466 . . . . 1.94 110.234 178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.81 89.37 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.376 -0.601 . . . . 0.67 109.376 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.88 -60.7 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.012 -0.54 . . . . 0.88 111.209 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -106.42 165.82 10.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.091 -0.504 . . . . 0.65 111.039 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 81.5 t -54.87 -39.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.053 0.454 . . . . 0.6 110.269 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 81' ' ' ARG . . . -54.95 -36.63 65.52 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.341 -0.845 . . . . 0.36 111.789 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -65.69 -45.32 83.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.651 0.262 . . . . 2.04 111.261 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.8 tp -72.37 -42.72 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.921 0.391 . . . . 0.53 110.664 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.75 -34.9 78.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.38 110.965 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 45.0 ttm180 -56.06 -42.45 76.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.82 -0.627 . . . . 4.06 111.265 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.55 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.59 111.059 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -77.55 -19.22 56.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.127 -0.488 . . . . 0.9 111.303 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -72.59 -25.31 61.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 0.72 110.836 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 29.8 mm-40 -79.99 -12.3 59.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.794 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mm-40 -85.25 161.02 19.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 3.59 110.252 178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.37 35.92 6.09 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.521 -0.847 . . . . 2.96 111.05 -175.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.9 m -120.84 143.69 37.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.55 -0.325 . . . . 3.59 110.414 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.26 109.61 2.84 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.562 2.175 . . . . 5.2 112.61 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.77 175.26 16.63 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.119 -0.793 . . . . 6.5 111.119 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 119.62 6.99 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.629 2.219 . . . . 8.43 112.003 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.3 m -60.01 124.32 76.53 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.446 -0.343 . . . . 9.92 110.81 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.66 -22.03 44.54 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.864 2.376 . . . . 11.69 112.169 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -116.64 108.64 44.64 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.089 -0.505 . . . . 12.71 109.921 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.71 -15.11 35.36 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.104 2.536 . . . . 13.87 112.414 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.55 -26.38 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.826 -0.624 . . . . 16.37 110.669 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.43 -58.97 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.798 -0.637 . . . . 13.44 110.645 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.85 -28.43 62.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 14.0 111.052 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -60.98 -47.52 86.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.993 -0.549 . . . . 17.04 110.324 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.0 tp -76.08 -28.66 57.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.947 -0.569 . . . . 17.18 110.348 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -57.62 -42.7 83.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.864 -0.607 . . . . 16.96 110.336 175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.407 ' CB ' ' HE ' ' A' ' 104' ' ' ARG . 9.6 m-20 -91.46 6.16 46.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 18.98 111.167 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 103' ' ' LEU . 3.9 mm? 54.48 38.48 29.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.879 -0.601 . . . . 19.25 111.485 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.407 ' HE ' ' CB ' ' A' ' 102' ' ' ASP . 85.2 mtt180 -81.46 121.3 26.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 20.5 110.482 -177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -84.86 -2.36 57.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.043 -0.526 . . . . 22.61 110.797 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.249 1.062 0 O-C-N 123.867 0.73 . . . . 22.66 110.512 -177.561 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.894 -0.482 . . . . 5.43 111.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 55.9 mt -81.25 83.35 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.588 0.708 . . . . 4.76 109.922 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.477 ' HB3' ' HD2' ' A' ' -1' ' ' PRO . 45.0 m-20 -74.74 165.71 51.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 3.49 110.406 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' -2' ' ' ASP . 74.0 Cg_exo -43.94 -48.63 9.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.058 2.505 . . . . 2.79 113.487 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -67.03 -40.94 87.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.929 0.395 . . . . 4.74 110.425 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 5.9 m -62.48 -45.99 90.51 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.1 -0.5 . . . . 2.63 110.432 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.69 -39.88 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.663 -0.699 . . . . 2.49 110.499 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.01 -44.24 87.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.817 -0.628 . . . . 2.67 110.209 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -68.21 -37.69 81.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 2.94 110.168 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 1' ' ' THR . 32.4 mm-40 -57.1 -50.59 72.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.846 0.355 . . . . 2.67 110.413 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.33 -43.45 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 1.59 110.879 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -42.31 78.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.75 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.07 -31.99 72.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.121 0.486 . . . . 1.36 110.071 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.15 -45.57 91.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.546 -0.752 . . . . 2.62 110.963 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.6 p -75.01 -42.11 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.641 -0.254 . . . . 1.39 110.625 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.25 -43.49 87.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.54 -0.3 . . . . 0.65 111.28 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.14 -42.67 81.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.55 111.168 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.1 tp60 -68.1 -40.72 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 1.37 110.183 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 10' ' ' VAL . 60.9 t -59.41 -51.81 68.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.446 . . . . 1.08 110.48 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.22 -38.75 84.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.02 -0.536 . . . . 1.09 110.478 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -58.75 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 2.01 110.378 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.544 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.2 mm100 -69.9 -43.04 72.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 1.54 110.438 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 74.1 mt -58.8 -44.09 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.284 -0.416 . . . . 0.45 110.916 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.42 90.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.51 110.886 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.35 -41.18 96.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 2.35 110.153 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 17' ' ' GLN . 61.7 t -62.95 -48.19 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.69 110.624 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 18' ' ' ILE . 95.0 mt -57.36 -45.64 84.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.964 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.92 78.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.109 -0.567 . . . . 0.94 112.748 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.85 -40.26 22.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.329 . . . . 1.19 110.767 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -65.76 -38.85 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 3.21 110.952 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 12.15 65.0 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.577 -0.738 . . . . 1.22 111.35 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.85 -179.28 52.9 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.28 -0.486 . . . . 1.1 112.515 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.04 141.3 63.45 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.942 2.428 . . . . 1.64 112.073 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.288 -0.634 . . . . 2.51 109.288 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -99.03 152.58 4.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.759 -0.655 . . . . 1.34 111.213 -176.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.05 103.32 15.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.801 -0.636 . . . . 0.98 109.918 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -77.51 130.04 36.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 1.31 110.438 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -121.13 175.28 6.18 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.496 -0.557 . . . . 2.05 109.496 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' HB2' ' A' ' 77' ' ' ALA . 10.5 tp -79.99 -28.15 12.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.459 -0.571 . . . . 0.7 109.459 175.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -98.53 -0.31 43.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 2.28 111.665 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.1 p -73.72 144.64 45.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.029 0.442 . . . . 1.17 110.744 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -89.69 144.49 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 3.15 109.812 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.08 -38.64 88.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.378 -0.374 . . . . 0.54 111.772 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -66.94 -27.88 67.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.078 0.466 . . . . 1.63 110.156 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.2 -37.67 66.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 2.2 109.698 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.06 -20.63 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.605 -0.725 . . . . 1.44 110.968 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 21.04 8.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.792 -0.718 . . . . 0.56 113.029 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD12 ' OD2' ' A' ' 47' ' ' ASP . 3.0 mm? -108.92 106.96 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.123 -0.325 . . . . 1.09 110.123 177.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -80.21 173.26 12.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.156 -0.475 . . . . 1.66 110.487 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -52.14 -47.17 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.506 0.558 . . . . 1.55 112.506 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.44 -43.49 98.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 2.22 111.042 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 43' ' ' LEU . 6.3 t70 -77.98 -30.51 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.747 -0.381 . . . . 1.11 110.097 -177.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.1 tt -62.89 -46.43 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.202 -0.666 . . . . 1.42 109.202 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.98 86.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.98 -0.555 . . . . 0.63 110.439 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.5 m -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.586 -0.734 . . . . 0.6 110.409 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 tp -58.72 -48.65 80.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.651 . . . . 0.44 110.3 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' LEU . 59.5 mt -58.69 -46.05 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.72 110.68 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.3 t -61.8 -41.88 98.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 1.21 111.349 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.1 m-20 -71.26 -41.03 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.488 -0.324 . . . . 1.44 111.087 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.73 -35.85 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.357 0.599 . . . . 1.22 110.133 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.83 -42.31 84.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.336 -0.847 . . . . 1.81 110.245 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.44 -12.71 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.834 -0.621 . . . . 0.65 111.484 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 54' ' ' ASN . 99.3 t -76.35 -43.49 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.803 0.335 . . . . 0.58 110.133 176.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -90.83 -34.28 15.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 1.04 111.685 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.29 33.5 28.58 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.39 -0.684 . . . . 1.23 111.39 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 p -93.58 -178.03 4.58 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.191 0.441 . . . . 1.83 112.191 -175.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.59 135.92 81.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.451 -0.795 . . . . 4.01 110.768 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.26 125.39 10.76 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.764 2.309 . . . . 3.94 111.965 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -120.57 -1.8 10.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.539 -0.3 . . . . 4.03 111.187 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.62 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.086 0.402 . . . . 4.87 112.086 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -94.89 -40.57 9.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 5.89 110.25 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.76 85.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.584 -0.735 . . . . 2.63 111.667 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.9 t -90.04 -8.02 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.026 0.441 . . . . 3.37 110.32 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 66.99 131.76 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.298 -0.865 . . . . 1.8 111.942 -176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -62.56 -26.75 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.001 -0.999 . . . . 1.51 112.008 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -73.72 -9.27 58.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.145 0.424 . . . . 1.59 112.145 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.1 m -84.98 -8.84 58.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.39 . . . . 1.94 110.911 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 47.1 mm -97.65 99.19 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.032 0.444 . . . . 0.67 110.21 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.93 -52.22 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.303 0.573 . . . . 0.88 110.465 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.6 p -100.47 153.29 19.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.691 -0.686 . . . . 0.65 110.953 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.26 -33.31 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.6 110.778 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' HB2' HG13 ' A' ' 34' ' ' ILE . . . -56.33 -37.3 69.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.814 -0.63 . . . . 0.36 111.737 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 8.6 t70 -72.34 -45.39 60.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 2.04 110.367 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.51 -47.46 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.53 110.699 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.53 -36.43 82.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.959 -0.564 . . . . 0.38 110.236 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 31.7 ttp85 -57.51 -51.11 70.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.56 . . . . 4.06 110.94 175.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.65 78.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.614 -0.721 . . . . 0.59 111.447 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -79.19 -29.26 42.82 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.663 0.246 . . . . 0.9 111.663 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.66 -41.79 75.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.72 110.833 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 81' ' ' ARG . 20.1 pt20 -83.4 -14.79 51.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 2.83 111.105 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -67.32 120.32 13.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.828 0.347 . . . . 3.59 110.228 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.82 -29.58 7.7 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 121.009 -0.615 . . . . 2.96 111.765 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 p -118.44 131.16 24.37 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.058 0.456 . . . . 3.59 110.576 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.14 108.88 0.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.664 2.243 . . . . 5.2 111.631 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 140.71 24.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.764 -0.731 . . . . 6.5 112.117 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.38 139.11 69.42 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.532 2.155 . . . . 8.43 111.952 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.9 m -89.04 119.75 69.84 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.363 -0.38 . . . . 9.92 111.023 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -82.01 8.45 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.744 2.296 . . . . 11.69 111.431 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.59 134.15 22.41 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.412 -0.813 . . . . 12.71 110.034 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.55 -7.45 20.38 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.951 2.434 . . . . 13.87 113.908 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 42.7 tp -59.25 -48.34 81.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.643 0.259 . . . . 16.37 110.799 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.09 -35.23 80.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.399 -0.364 . . . . 13.44 110.954 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.02 94.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 14.0 110.249 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -72.81 -23.95 60.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 17.04 110.784 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 83.5 mt -77.09 39.23 0.23 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.169 0.509 . . . . 17.18 111.428 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -93.12 -21.45 19.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.445 0.64 . . . . 16.96 109.537 175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.76 -36.41 11.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 18.98 110.348 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.2 mt 52.61 57.92 5.9 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.292 0.568 . . . . 19.25 111.01 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -90.8 -13.22 34.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.443 -0.799 . . . . 20.5 110.546 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -88.95 5.36 44.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 22.61 110.77 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.65 -0.69 . . . . 22.66 110.027 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.639 -0.585 . . . . 5.43 111.639 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -79.52 73.23 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.437 0.637 . . . . 4.76 109.651 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -83.96 144.66 45.04 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.715 . . . . 3.49 110.377 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.86 -24.0 78.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.792 2.328 . . . . 2.79 111.862 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.07 -48.28 53.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.855 -0.611 . . . . 4.74 110.839 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 p -70.35 -32.44 70.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.371 -0.377 . . . . 2.63 110.976 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.3 mt -67.35 -41.23 85.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.975 0.417 . . . . 2.49 110.29 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.01 -40.68 87.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.921 -0.581 . . . . 2.67 110.182 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -64.58 -37.84 88.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.448 177.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -63.84 -51.45 64.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.707 -0.224 . . . . 2.67 111.298 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.09 -34.63 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.687 0.279 . . . . 1.59 110.689 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -74.78 -30.09 61.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.149 0.499 . . . . 0.75 110.297 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.2 -44.56 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.085 175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -60.39 -49.4 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 2.62 111.026 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.87 -36.24 77.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.577 -0.283 . . . . 1.39 110.773 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' HA ' HG22 ' A' ' 14' ' ' VAL . 63.0 t80 -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.633 -0.258 . . . . 0.65 110.82 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.08 -34.73 73.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.502 . . . . 0.55 110.486 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.17 -54.42 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.807 -0.633 . . . . 1.37 110.504 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 11' ' ' PHE . 22.9 m -60.53 -32.77 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 1.08 110.702 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.56 -43.32 89.34 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.226 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 22.6 t60 -59.97 -50.27 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.945 -0.571 . . . . 2.01 110.142 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.4 mp0 -57.96 -46.53 84.98 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 123.17 0.294 . . . . 1.54 111.015 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.64 -45.84 93.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.833 0.349 . . . . 0.45 110.821 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.26 -33.45 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.51 111.011 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 30.8 mm-40 -67.51 -45.04 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.311 -0.404 . . . . 2.35 110.418 178.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.4 t -60.4 -53.01 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.69 111.116 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.76 -39.98 95.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 1.67 110.961 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.34 74.07 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.967 -0.635 . . . . 0.94 112.474 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.15 -25.44 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 1.19 110.919 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -78.76 -24.29 44.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.027 0.441 . . . . 3.21 110.489 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.89 21.4 33.62 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.665 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.41 173.98 23.49 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.795 -0.717 . . . . 1.1 112.143 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.12 154.37 41.91 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.665 2.244 . . . . 1.64 112.086 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 tp -88.33 109.76 20.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.233 -0.44 . . . . 2.51 110.053 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.06 148.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 102.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.98 111.292 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.23 111.47 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 1.31 110.149 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.98 148.06 50.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 2.05 109.86 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.2 tp -67.22 -25.31 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 0.7 111.577 -173.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -91.36 -10.22 41.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.269 0.557 . . . . 2.28 110.422 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -69.07 140.85 54.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.077 -0.51 . . . . 1.17 110.544 -176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG3' HG12 ' A' ' 74' ' ' VAL . 10.2 mpt_? -83.37 145.92 28.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.658 -0.701 . . . . 3.15 109.669 177.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -56.71 -52.27 65.61 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.976 0.362 . . . . 0.54 111.976 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.5 p -61.37 -40.53 94.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.856 0.36 . . . . 1.63 111.173 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.26 -31.04 71.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 2.2 110.466 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.8 tp -79.65 -11.18 59.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.987 -0.551 . . . . 1.44 111.191 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.12 -4.73 23.78 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.459 -0.876 . . . . 0.56 112.952 176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -98.2 107.14 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.09 110.615 -177.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 t -78.68 -176.22 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.485 -0.561 . . . . 1.66 109.485 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 m -57.85 -43.78 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.85 0.357 . . . . 1.55 110.974 -177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.81 -37.46 86.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.151 0.5 . . . . 2.22 110.748 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -71.83 -39.14 69.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 1.11 110.26 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' O ' HG12 ' A' ' 52' ' ' ILE . 3.7 tt -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.679 -0.692 . . . . 1.42 109.535 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.66 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.63 110.919 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.1 m -66.23 -35.72 81.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.107 0.48 . . . . 0.6 110.623 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.8 tp -62.48 -38.66 90.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.44 110.175 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 48' ' ' LEU . 48.9 mm -55.97 -52.76 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.72 110.583 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 m -60.71 -34.8 74.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.216 -0.447 . . . . 1.21 111.454 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -72.92 -44.86 60.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.44 111.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.76 -31.34 68.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.262 0.553 . . . . 1.22 110.351 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.14 -35.9 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.511 -0.768 . . . . 1.81 110.517 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.0 -17.97 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.65 111.559 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.5 t -83.48 -45.94 18.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.043 0.449 . . . . 0.58 110.87 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -89.18 -36.45 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.271 -0.422 . . . . 1.04 111.556 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.02 -30.45 8.53 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.069 -0.813 . . . . 1.23 111.069 -175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 42.2 p -97.38 156.16 16.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.651 -0.274 . . . . 1.83 110.336 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -136.43 116.58 11.05 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.031 0.443 . . . . 4.01 110.077 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -89.04 114.29 0.66 Allowed 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.351 2.034 . . . . 3.94 111.63 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -119.0 -12.19 9.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.992 0.425 . . . . 4.03 110.696 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.56 -42.72 41.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.022 0.439 . . . . 4.87 109.921 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.61 -39.21 53.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 5.89 110.475 177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.62 28.09 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.076 -0.511 . . . . 2.63 111.286 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.05 -27.86 38.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.274 0.559 . . . . 3.37 110.239 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.34 74.33 10.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.943 -0.571 . . . . 1.8 109.926 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.17 -27.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.636 -0.711 . . . . 1.51 110.624 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -71.34 -25.27 62.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.628 -0.714 . . . . 1.59 111.362 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -90.74 -2.88 57.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 1.94 110.913 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.7 mm -79.73 89.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.706 -0.85 . . . . 0.67 108.706 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG12 ' HG3' ' A' ' 37' ' ' ARG . 48.1 t -103.09 -57.17 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.502 -0.772 . . . . 0.88 111.012 -173.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 76.6 p -102.02 162.38 12.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.295 -0.411 . . . . 0.65 110.63 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.78 -37.85 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.6 110.127 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -34.12 66.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.46 -0.791 . . . . 0.36 112.105 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -63.97 -43.85 94.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 2.04 110.981 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.2 tp -80.18 -44.2 20.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.11 -0.495 . . . . 0.53 110.718 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.94 -33.02 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.38 111.162 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -60.11 -36.51 77.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 4.06 111.037 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 86' ' ' GLN . . . -67.09 -43.19 83.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.59 110.624 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -78.42 -20.19 51.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.9 111.263 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.73 -22.11 64.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.239 0.543 . . . . 0.72 110.029 173.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -97.1 -4.16 39.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.65 -0.704 . . . . 2.83 110.85 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 82' ' ' ALA . 15.9 mm100 -84.18 124.23 30.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.396 -0.365 . . . . 3.59 110.235 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.88 53.79 21.49 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.629 -0.796 . . . . 2.96 111.85 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.87 127.08 88.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.029 0.443 . . . . 3.59 110.759 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.04 108.97 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.014 2.476 . . . . 5.2 112.195 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -155.33 70.09 0.28 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.673 -0.775 . . . . 6.5 112.227 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.34 126.91 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.527 2.151 . . . . 8.43 111.27 176.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -79.07 129.12 73.97 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.252 -0.431 . . . . 9.92 110.903 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.39 -7.71 21.84 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.799 2.333 . . . . 11.69 111.336 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.63 145.81 98.32 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.267 -0.879 . . . . 12.71 109.858 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.59 -14.25 38.58 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.174 2.583 . . . . 13.87 114.025 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.4 tp -69.35 -51.37 37.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.77 0.319 . . . . 16.37 110.779 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -76.99 -19.52 57.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.838 0.352 . . . . 13.44 110.622 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.99 -28.28 60.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 14.0 110.413 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -82.39 -38.61 23.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.18 0.514 . . . . 17.04 110.022 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.6 mt -92.06 62.93 4.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.816 -0.629 . . . . 17.18 110.953 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -96.0 -60.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 16.96 109.723 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -91.5 -31.38 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 18.98 109.285 171.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.32 64.85 2.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 19.25 110.838 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' HG3' ' H ' ' A' ' 106' ' ' LEU . 14.3 ptt180 -160.13 160.75 33.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.154 -0.684 . . . . 20.5 109.154 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -90.4 32.88 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.221 0.534 . . . . 22.61 110.687 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' H ' ' HG3' ' A' ' 104' ' ' ARG . 87.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-N 115.467 -0.788 . . . . 22.66 109.44 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 112.12 -0.392 . . . . 5.43 112.12 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 39.6 mt 56.61 70.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 121.537 0.684 . . . . 4.76 110.698 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -89.51 132.37 37.31 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.64 -0.709 . . . . 3.49 110.217 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.58 -11.96 26.6 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.606 2.204 . . . . 2.79 111.774 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -64.02 -61.33 2.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.755 -0.657 . . . . 4.74 110.538 -177.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.1 p -67.38 -34.32 77.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 2.63 110.986 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.05 -41.03 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 2.49 111.088 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -71.39 -42.76 67.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.081 0.467 . . . . 2.67 109.987 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -66.55 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 2.94 110.582 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -60.44 -49.75 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 2.67 110.434 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.21 -40.51 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 1.59 110.507 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.5 tpp -62.75 -46.07 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 0.75 111.036 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.17 -36.02 82.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.169 0.509 . . . . 1.36 110.165 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -66.11 -52.39 49.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.4 -0.818 . . . . 2.62 111.065 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.4 p -65.0 -38.12 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.29 . . . . 1.39 110.459 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.24 -40.71 86.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.184 -0.462 . . . . 0.65 110.897 178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -58.5 -44.39 89.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.55 110.559 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.566 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 5.8 tp-100 -68.09 -43.09 79.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 1.37 110.457 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 10' ' ' VAL . 98.5 t -58.26 -46.83 88.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.435 -0.348 . . . . 1.08 110.764 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -57.48 -45.31 85.0 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.96 0.41 . . . . 1.09 109.994 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.48 -37.42 83.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.65 -0.704 . . . . 2.01 110.679 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 31.2 mm-40 -70.43 -39.85 74.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.583 -0.28 . . . . 1.54 110.536 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 14' ' ' VAL . 72.4 mt -65.71 -45.15 92.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.45 110.302 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -34.46 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.51 110.639 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.45 -49.79 74.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 2.35 110.295 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 17' ' ' GLN . 92.0 t -59.41 -47.68 89.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.253 -0.43 . . . . 0.69 110.94 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.5 -42.8 98.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.667 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.68 -35.85 86.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.95 -0.643 . . . . 0.94 112.208 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.2 65.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.651 0.262 . . . . 1.19 111.417 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -91.85 -15.23 28.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.0 0.429 . . . . 3.21 110.661 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.83 30.27 18.42 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.861 -0.608 . . . . 1.22 112.586 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.17 157.63 14.87 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.774 -0.727 . . . . 1.1 112.12 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.34 143.12 75.54 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.817 2.344 . . . . 1.64 111.865 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.73 138.73 36.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.132 0.491 . . . . 2.51 110.715 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -95.94 167.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 1.34 110.577 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.85 98.87 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.13 -0.487 . . . . 0.98 110.364 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.98 118.08 22.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.113 -0.494 . . . . 1.31 110.216 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.77 172.75 6.66 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.559 -0.534 . . . . 2.05 109.559 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.7 tp -83.08 -31.21 8.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.001 0.429 . . . . 0.7 110.331 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.0 6.25 43.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.341 -0.39 . . . . 2.28 111.683 -176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -84.35 148.85 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.754 0.312 . . . . 1.17 110.844 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 69.8 mtt180 -85.27 141.79 29.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.206 -0.665 . . . . 3.15 109.206 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 70.1 m-85 -61.61 -30.18 70.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.913 -0.403 . . . . 0.54 109.913 175.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -61.28 -51.53 68.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.635 -0.712 . . . . 1.63 111.33 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.81 -20.23 53.59 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.887 -0.325 . . . . 2.2 110.974 -175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' ARG . 91.2 mt -71.46 -20.35 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 1.44 110.152 173.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 4.09 28.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.92 -0.657 . . . . 0.56 113.299 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 47' ' ' ASP . 3.2 mm? -83.49 112.59 20.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.89 0.345 . . . . 1.09 110.124 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -83.81 -173.1 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.367 -0.379 . . . . 1.66 110.602 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.3 m -55.65 -50.66 69.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.767 0.318 . . . . 1.55 111.785 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.7 tp -66.56 -43.28 85.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 2.22 110.55 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 43' ' ' LEU . 11.4 m-20 -60.95 -44.42 97.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 1.11 110.752 -178.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' O ' HG12 ' A' ' 52' ' ' ILE . 8.2 tt -61.71 -45.13 95.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.904 -0.589 . . . . 1.42 109.819 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.94 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.63 110.735 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -59.91 -42.32 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.6 109.923 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.5 -44.32 97.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.566 -0.743 . . . . 0.44 110.7 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 48' ' ' LEU . 44.9 mm -57.31 -46.19 85.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.067 0.46 . . . . 0.72 110.221 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 t -63.11 -37.73 88.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.343 -0.844 . . . . 1.21 110.834 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HB3' ' OE1' ' A' ' 17' ' ' GLN . 97.3 m-20 -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.539 -0.3 . . . . 1.44 110.896 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.0 mm? -65.46 -29.5 70.17 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.74 0.305 . . . . 1.22 110.818 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.15 -38.85 86.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 1.81 110.048 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.62 -30.59 71.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.431 . . . . 0.65 110.675 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 13' ' ' GLN . 88.1 t -76.43 -64.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.952 -0.567 . . . . 0.58 111.414 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -103.42 -50.8 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 1.04 111.617 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.48 1.45 86.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.866 -0.683 . . . . 1.23 112.37 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 p -80.74 -176.56 5.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 122.016 0.126 . . . . 1.83 110.798 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.1 t70 70.79 103.27 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.851 0.719 . . . . 4.01 110.712 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.32 116.08 2.93 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.771 2.314 . . . . 3.94 112.011 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -75.72 -13.85 60.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 4.03 110.815 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.73 86.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.253 0.549 . . . . 4.87 109.539 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -80.59 -32.45 36.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.646 -0.706 . . . . 5.89 110.274 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.28 28.95 1.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 2.63 111.11 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.7 -25.13 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 3.37 111.191 -178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.84 72.67 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 1.8 110.26 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.01 -19.27 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.812 -0.631 . . . . 1.51 111.553 -176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.73 -5.77 27.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.162 0.431 . . . . 1.59 112.162 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 p -77.23 -18.97 57.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.325 0.583 . . . . 1.94 109.929 175.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.38 89.59 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.842 -0.617 . . . . 0.67 109.972 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -101.78 -53.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.996 -0.547 . . . . 0.88 110.325 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 40.7 p -105.08 167.62 9.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.65 110.885 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 86.3 t -59.58 -39.82 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.753 0.311 . . . . 0.6 110.547 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 81' ' ' ARG . . . -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.615 . . . . 0.36 111.774 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.13 -43.46 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.872 0.367 . . . . 2.04 110.762 -177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 61.4 tp -73.21 -39.94 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.007 -0.542 . . . . 0.53 110.293 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.54 93.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.568 -0.742 . . . . 0.38 111.049 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 48.1 mtm105 -56.16 -39.07 71.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.569 -0.287 . . . . 4.06 111.406 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.11 -60.02 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.59 111.233 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.3 -9.36 59.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.384 . . . . 0.9 111.824 -175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . -77.69 -51.19 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.828 -0.434 . . . . 0.72 109.828 172.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 88' ' ' VAL . 16.9 tt0 -71.62 -41.21 69.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.736 -0.665 . . . . 2.83 110.771 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -86.61 109.51 19.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.255 -0.429 . . . . 3.59 110.02 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.57 -15.92 5.69 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.894 -0.67 . . . . 2.96 111.754 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 85' ' ' GLN . 34.4 m -99.68 147.06 32.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.914 -0.402 . . . . 3.59 109.914 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.99 109.91 1.39 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.525 2.15 . . . . 5.2 111.806 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.75 -73.94 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.132 -0.556 . . . . 6.5 112.056 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.02 119.19 6.16 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.467 2.111 . . . . 8.43 111.761 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.9 t -83.6 125.35 73.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.106 -0.497 . . . . 9.92 110.029 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.96 -10.27 27.27 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.651 2.234 . . . . 11.69 111.93 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -126.34 75.34 73.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 12.71 109.812 176.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.38 -37.61 80.5 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.883 2.389 . . . . 13.87 112.834 -175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.74 -46.7 74.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.572 . . . . 16.37 110.255 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.44 -38.91 92.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 13.44 110.443 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.63 -35.54 79.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 14.0 110.963 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.62 -60.2 3.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.142 -0.481 . . . . 17.04 110.929 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.81 -16.92 64.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.741 0.305 . . . . 17.18 111.8 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -70.77 -56.45 6.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.283 -0.417 . . . . 16.96 110.728 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.01 -24.29 23.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.871 -0.604 . . . . 18.98 111.538 -174.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.6 tp -98.97 72.87 1.93 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.439 0.638 . . . . 19.25 109.536 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -90.98 129.05 37.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 20.5 110.272 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -83.3 122.15 28.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.999 -0.546 . . . . 22.61 110.006 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.47 -0.776 . . . . 22.66 110.398 -177.646 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.599 -0.6 . . . . 5.43 111.599 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 39.8 pt -109.45 152.41 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.641 0.258 . . . . 4.76 110.473 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' -1' ' ' PRO . 4.1 p-10 -109.72 153.89 42.75 Favored Pre-proline 0 N--CA 1.447 -0.581 0 N-CA-C 109.921 -0.4 . . . . 3.49 109.921 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' -2' ' ' ASP . 4.2 Cg_exo -74.77 -5.15 16.46 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.179 2.586 . . . . 2.79 113.571 -172.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -89.46 -51.36 5.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.788 -0.449 . . . . 4.74 109.788 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.2 p -66.57 -30.74 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.048 0.451 . . . . 2.63 110.058 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 6' ' ' VAL . 61.4 tp -61.6 -40.86 96.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.735 -0.666 . . . . 2.49 110.484 176.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -70.22 -32.86 70.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.251 0.548 . . . . 2.67 109.576 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -65.43 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.675 -0.693 . . . . 2.94 109.69 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 47.2 tt0 -66.6 -45.28 79.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 2.67 110.541 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 2' ' ' LEU . 60.6 t -58.09 -48.05 85.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.232 0.539 . . . . 1.59 110.34 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.9 tpt -65.59 -31.49 72.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.696 -0.684 . . . . 0.75 110.365 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.87 -39.29 93.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.36 110.335 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 18.2 mm100 -63.24 -45.09 93.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.573 -0.74 . . . . 2.62 111.248 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.6 -33.62 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.86 -0.336 . . . . 1.39 110.576 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' HG22 ' A' ' 14' ' ' VAL . 64.4 t80 -65.19 -39.54 93.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.98 0.419 . . . . 0.65 110.254 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -63.9 -38.02 89.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.55 110.495 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.47 -44.02 58.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 1.37 111.153 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 11' ' ' PHE . 26.9 m -64.78 -38.93 83.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.499 -0.48 . . . . 1.08 110.106 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.41 -48.04 83.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.177 0.513 . . . . 1.09 109.922 174.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.3 t-80 -56.19 -48.96 75.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.132 -0.94 . . . . 2.01 111.016 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -66.31 -40.61 90.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 1.54 111.028 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.58 -47.43 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.74 0.305 . . . . 0.45 110.319 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.74 76.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.002 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.0 mm-40 -63.2 -47.84 80.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 2.35 110.601 177.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.54 -46.34 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.69 110.898 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.41 -38.14 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.39 -0.368 . . . . 1.67 111.043 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.44 -44.56 95.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.004 -0.617 . . . . 0.94 112.106 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.77 63.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 1.19 110.853 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -78.1 -29.64 49.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.852 -0.613 . . . . 3.21 110.328 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.55 11.55 68.49 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.629 -0.714 . . . . 1.22 111.427 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.97 162.66 32.75 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 121.14 -0.552 . . . . 1.1 112.012 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -59.98 123.51 13.37 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.891 2.394 . . . . 1.64 112.751 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.58 110.2 6.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.966 -0.561 . . . . 2.51 109.854 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -109.85 154.61 11.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 1.34 110.807 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.98 122.21 18.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.98 110.285 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.17 132.26 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 1.31 111.119 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -109.74 139.06 45.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.484 -0.78 . . . . 2.05 109.877 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 tp -74.99 -25.12 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.768 -0.651 . . . . 0.7 111.035 -175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.82 -32.04 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 2.28 111.178 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -65.41 160.74 21.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.579 0.705 . . . . 1.17 111.58 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HA ' ' HA ' ' A' ' 75' ' ' THR . 54.1 mtm180 -88.52 161.23 17.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.251 -0.886 . . . . 3.15 109.246 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 76' ' ' VAL . 74.9 m-85 -60.19 -35.76 76.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.968 0.413 . . . . 0.54 110.715 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.3 m -62.28 -25.27 67.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.63 111.532 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -73.53 -29.64 62.58 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.561 0.219 . . . . 2.2 111.157 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -86.62 -10.64 53.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.975 0.417 . . . . 1.44 110.499 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.45 3.94 23.76 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.623 -0.799 . . . . 0.56 113.224 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.41 124.1 29.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.898 0.349 . . . . 1.09 110.336 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -85.84 177.45 7.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.797 -0.446 . . . . 1.66 109.797 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.6 m -57.76 -39.69 78.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 1.55 110.683 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.63 -44.15 82.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.756 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -63.29 -42.72 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.904 -0.406 . . . . 1.11 109.904 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -57.65 -47.48 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.366 -0.834 . . . . 1.42 110.467 -178.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.39 -51.08 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.63 111.21 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -68.11 -33.47 74.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.6 110.765 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.5 tp -59.0 -44.71 91.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 0.44 110.318 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 48' ' ' LEU . 61.7 mt -63.03 -41.8 94.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.74 -0.664 . . . . 0.72 110.499 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.8 m -58.3 -35.62 72.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.21 111.061 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.47 -45.17 76.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.494 . . . . 1.44 110.77 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.15 -35.97 78.93 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.05 -0.523 . . . . 1.22 110.483 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.33 -42.49 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 1.81 110.537 175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.4 -22.97 65.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.41 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.09 -62.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.58 110.942 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -86.2 -34.31 20.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 1.04 111.67 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.44 -7.68 45.63 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.965 -0.561 . . . . 1.23 112.888 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 40.9 p -116.25 112.49 21.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.96 0.356 . . . . 1.83 111.96 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.494 ' HB2' ' O ' ' A' ' 61' ' ' THR . 25.8 t0 163.69 91.54 0.01 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 O-C-N 124.653 1.221 . . . . 4.01 108.778 176.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.1 115.77 3.48 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.262 1.975 . . . . 3.94 112.402 -176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.2 6.91 40.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 4.03 111.066 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.09 72.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.432 -0.581 . . . . 4.87 109.432 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -93.98 -29.5 15.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 5.89 110.556 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.51 29.62 0.97 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.997 0.427 . . . . 2.63 111.225 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.46 -17.53 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.017 -0.538 . . . . 3.37 111.004 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.12 116.69 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 1.8 111.381 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -95.23 -14.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.162 0.506 . . . . 1.51 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -64.15 -29.22 70.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.59 111.53 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.3 m -71.9 -30.5 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 1.94 111.108 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm -85.07 89.53 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.168 0.509 . . . . 0.67 110.643 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.58 -50.47 3.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.274 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 37' ' ' ARG . 14.9 p -89.07 152.31 21.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.12 -0.491 . . . . 0.65 110.972 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 80.9 t -61.24 -35.97 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.6 110.163 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.401 -0.818 . . . . 0.36 112.127 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.7 -50.6 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 2.04 110.907 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.85 -39.37 87.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.143 -0.48 . . . . 0.53 110.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.7 -46.52 81.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.048 -0.524 . . . . 0.38 110.787 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -67.37 -29.77 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 4.06 111.032 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.98 81.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.041 0.448 . . . . 0.59 111.217 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -82.09 -20.68 37.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 0.9 111.404 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.37 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.483 . . . . 0.72 110.244 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.43 -41.14 76.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.806 -0.633 . . . . 2.83 110.164 177.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 61' ' ' THR . 8.4 tp-100 -65.53 137.4 57.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 3.59 110.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.73 -11.62 20.93 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.944 -0.646 . . . . 2.96 111.516 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.79 133.65 82.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.828 0.347 . . . . 3.59 110.181 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.84 109.82 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.866 2.377 . . . . 5.2 112.055 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 179.29 124.11 0.86 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.081 -0.58 . . . . 6.5 111.791 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.29 136.86 18.33 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.572 2.181 . . . . 8.43 111.971 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m -76.17 153.56 84.39 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 9.92 109.967 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.31 -15.3 43.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.053 2.502 . . . . 11.69 112.593 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -76.08 130.94 76.72 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 12.71 110.113 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.16 -22.22 72.8 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.64 2.227 . . . . 13.87 111.812 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.19 -34.48 78.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.563 -0.744 . . . . 16.37 110.116 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 -40.0 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.62 -0.718 . . . . 13.44 110.341 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.95 70.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 14.0 112.443 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.26 -6.32 50.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.61 0.226 . . . . 17.04 111.61 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.2 mt 49.02 67.89 0.8 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.636 0.606 . . . . 17.18 112.636 171.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -93.61 -21.09 19.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.19 -0.671 . . . . 16.96 109.19 173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.34 -60.51 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 18.98 109.721 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.67 120.25 25.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.453 -0.794 . . . . 19.25 110.399 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.601 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.2 tpm_? -79.85 -29.67 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.154 0.502 . . . . 20.5 109.782 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.13 158.64 41.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.748 -0.66 . . . . 22.61 109.689 176.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.619 -0.705 . . . . 22.66 109.829 179.651 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.989 -0.445 . . . . 5.43 111.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ILE . . . . . . . . . . . . . 29.7 pt -69.69 131.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.194 0.521 . . . . 4.76 111.069 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -77.53 132.7 68.46 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.96 -0.564 . . . . 3.49 110.034 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.78 -24.19 74.85 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.575 2.183 . . . . 2.79 111.388 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -75.21 -49.13 20.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.588 -0.733 . . . . 4.74 110.697 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.522 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 36.8 p -65.09 -43.16 93.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.985 0.422 . . . . 2.63 110.028 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.51 -36.73 76.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.625 -0.716 . . . . 2.49 110.711 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.31 -36.65 83.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 2.67 110.417 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -71.4 -40.93 70.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 2.94 110.325 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 1' ' ' THR . 96.8 mt-30 -59.78 -48.03 83.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 2.67 111.349 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 10' ' ' VAL . 14.6 p -68.55 -37.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.712 -0.222 . . . . 1.59 111.174 -177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.6 tpt -66.45 -37.76 85.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.18 0.514 . . . . 0.75 109.809 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.58 -38.96 89.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 1.36 110.361 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 25.7 mt-30 -63.47 -41.46 98.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 2.62 110.898 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 6' ' ' VAL . 48.8 t -65.56 -41.87 91.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 1.39 110.212 177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.66 -44.18 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.65 110.476 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -56.04 -42.12 76.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.55 110.8 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 6.5 tp-100 -61.36 -56.66 17.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.791 -0.641 . . . . 1.37 110.762 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 18' ' ' ILE . 27.6 m -64.39 -35.84 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 1.08 111.264 -177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.86 -49.96 69.85 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.15 0.5 . . . . 1.09 110.643 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 69.4 t60 -62.77 -40.72 98.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.411 -0.813 . . . . 2.01 110.674 -178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 mm100 -66.12 -41.3 90.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.321 . . . . 1.54 110.431 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 14' ' ' VAL . 92.3 mt -60.81 -44.2 97.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.861 0.362 . . . . 0.45 110.433 177.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.64 75.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.176 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 11.8 mm100 -70.29 -38.57 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 2.35 110.574 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' GLN . 85.3 t -67.83 -48.1 76.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.295 -0.411 . . . . 0.69 110.53 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.83 -42.99 85.48 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.418 -0.355 . . . . 1.67 110.637 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.48 92.4 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.94 112.209 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.74 81.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.19 111.237 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -71.81 -32.03 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 3.21 110.972 177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 15.49 71.02 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.346 -0.702 . . . . 1.22 111.346 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.58 179.29 49.06 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.13 -0.557 . . . . 1.1 112.578 -175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.14 119.82 7.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.998 2.466 . . . . 1.64 112.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.81 109.1 8.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 2.51 109.935 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -119.29 148.32 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.937 -0.574 . . . . 1.34 110.472 -178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 129.72 34.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.98 110.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.51 138.23 23.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.081 -0.509 . . . . 1.31 111.35 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -119.67 178.76 4.45 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.266 -0.642 . . . . 2.05 109.266 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.0 tp -74.39 -33.93 34.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.394 -0.523 . . . . 0.7 111.148 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.38 -0.96 57.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.227 0.537 . . . . 2.28 111.028 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -62.67 135.05 57.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.486 . . . . 1.17 111.456 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -92.28 133.89 35.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.875 -0.787 . . . . 3.15 108.875 175.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -62.11 -28.01 69.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.54 112.557 -172.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -63.84 -44.98 91.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.775 0.321 . . . . 1.63 110.431 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.76 -31.17 64.71 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.206 0.527 . . . . 2.2 110.158 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 tp -70.26 -19.08 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.533 -0.758 . . . . 1.44 110.801 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.84 18.48 27.29 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.79 -0.719 . . . . 0.56 112.686 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.26 110.23 22.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.022 -0.362 . . . . 1.09 110.022 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -76.07 174.48 9.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.201 -0.454 . . . . 1.66 109.935 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -59.96 -36.87 78.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.022 0.439 . . . . 1.55 110.33 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.3 mp -67.91 -38.07 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.22 110.148 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.41 -37.58 80.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.745 -0.661 . . . . 1.11 109.988 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 52' ' ' ILE . 50.6 mt -60.8 -44.38 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.901 -0.591 . . . . 1.42 110.706 176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.21 76.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.012 0.434 . . . . 0.63 110.591 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.9 m -66.49 -44.05 83.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.6 111.081 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.82 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.266 -0.424 . . . . 0.44 111.014 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 48' ' ' LEU . 70.3 mt -65.3 -33.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.721 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -63.2 -38.1 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.071 0.462 . . . . 1.21 110.318 175.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.39 -21.37 62.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 1.44 110.923 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.6 tp -90.18 -28.14 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.409 0.623 . . . . 1.22 109.797 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -57.89 -43.63 86.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.191 -0.913 . . . . 1.81 110.327 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.47 -8.76 43.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.65 111.948 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -87.82 -49.14 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.304 . . . . 0.58 110.738 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -95.14 -32.24 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.064 0.394 . . . . 1.04 112.064 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.48 5.57 78.8 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.357 -0.697 . . . . 1.23 111.357 -173.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.4 p -81.41 136.11 35.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.303 -0.448 . . . . 1.83 111.329 -177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.91 117.01 52.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 4.01 111.186 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HA ' ' OH ' ' A' ' 83' ' ' TYR . 51.8 Cg_exo -55.48 116.9 3.48 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.002 2.468 . . . . 3.94 112.266 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -79.44 -4.33 50.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.979 -0.555 . . . . 4.03 110.846 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.43 98.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.997 -0.547 . . . . 4.87 111.024 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.54 -18.72 47.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 5.89 110.811 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.7 -59.7 2.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.831 -0.622 . . . . 2.63 111.249 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -99.9 -70.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.39 -0.368 . . . . 3.37 111.253 -175.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.34 147.4 20.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.891 0.377 . . . . 1.8 111.073 -177.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.5 tp -93.63 -21.84 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.925 -0.579 . . . . 1.51 110.153 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 p -77.67 0.19 24.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 1.59 111.255 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -76.4 -14.66 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 1.94 110.039 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.3 mm -100.72 89.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.82 -0.627 . . . . 0.67 109.574 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.96 -58.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.809 -0.632 . . . . 0.88 110.449 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 47.2 p -102.17 162.48 12.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.035 -0.53 . . . . 0.65 110.572 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.01 -35.56 66.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.18 0.514 . . . . 0.6 109.868 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.34 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.451 -0.795 . . . . 0.36 111.426 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -66.6 -48.24 70.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.898 0.38 . . . . 2.04 110.55 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.68 -45.95 91.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.612 -0.722 . . . . 0.53 110.205 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.17 -53.91 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.579 -0.737 . . . . 0.38 111.236 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -59.35 -42.19 90.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.315 . . . . 4.06 111.546 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.78 94.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.59 111.728 -176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' A' ' 63' ' ' PRO . 83.0 m-85 -90.73 -9.98 44.69 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.839 0.311 . . . . 0.9 111.839 -177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.47 28.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.265 0.555 . . . . 0.72 109.931 173.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -77.82 -17.77 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.533 -0.758 . . . . 2.83 110.048 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -82.37 158.83 23.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.22 -0.659 . . . . 3.59 109.22 177.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.72 -18.98 56.4 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 110.9 -0.88 . . . . 2.96 110.9 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.48 151.54 78.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.926 -0.768 . . . . 3.59 108.926 176.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 109.23 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.718 2.279 . . . . 5.2 112.145 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -150.68 -74.12 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.908 -0.587 . . . . 6.5 111.78 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -60.52 120.21 7.83 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.602 2.202 . . . . 8.43 111.598 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 36.6 p -68.47 120.01 72.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.149 -0.478 . . . . 9.92 110.997 -177.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 24.5 Cg_exo -62.17 -31.21 82.79 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.762 2.308 . . . . 11.69 111.755 177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -143.76 109.87 5.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.58 -0.737 . . . . 12.71 110.079 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -85.14 -5.42 9.51 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.514 2.143 . . . . 13.87 113.259 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 tt -83.99 -51.06 7.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 16.37 110.284 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -14.11 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.954 0.407 . . . . 13.44 110.175 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.34 77.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.343 0.592 . . . . 14.0 109.704 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.682 -0.69 . . . . 17.04 109.997 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.28 14.73 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 17.18 111.083 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -60.14 -34.24 73.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.562 0.696 . . . . 16.96 109.793 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.23 16.41 26.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.056 -0.974 . . . . 18.98 110.733 -176.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.28 124.89 21.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.206 0.527 . . . . 19.25 110.462 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -107.3 159.66 16.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.684 -0.689 . . . . 20.5 110.362 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.61 47.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.522 0.677 . . . . 22.61 110.076 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.292 -0.867 . . . . 22.66 109.78 -178.106 . . . . . . . . 0 0 . 1 stop_ save_